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REACH

1,3,5-Triazin-2-amine, 4-methoxy-6-(trifluoromethyl)-

EC number: 610-962-9 | CAS number: 5311-05-7

Life Cycle description
Uses advised against

Environmental fate & pathways

Biodegradation in water: screening tests

Administrative data

Endpoint:: biodegradation in water: ready biodegradability
Type of information:: (Q)SAR
Adequacy of study:: other information
Study period:: January 2023
Reliability:: 2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:: results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:: Biowin v4.10
Section MITI Models
Linear and Non-Linear MITI Biodegradation Model (Biowin 5 and Biowin 6)

Data source

Reference

Reference Type:: other: QSAR Model
Title:: Biodeg Prediction CAS: 5311-05-7
Author:: M. Essers
Year:: 2023

Materials and methods

Test material

Test material information

Constituent 1

Reference substance name:: 4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
EC Number:: 610-962-9
Cas Number:: 5311-05-7
Molecular formula:: C5H5F3N4O
IUPAC Name:: 4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine

Specific details on test material used for the study:: COc1nc(nc(n1)N)C(F)(F)F

Results and discussion

Any other information on results incl. tables

SMILES : COc1nc(nc(n1)N)C(F)(F)F

CHEM :

MOL FOR: C5 H5 F3 N4 O1

MOL WT : 194.12

--------------------------- BIOWIN v4.10 Results ----------------------------

Biowin1 (Linear Model Prediction) : Does Not Biodegrade Fast

Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast

Biowin3 (Ultimate Biodegradation Timeframe): Months

Biowin4 (Primary Biodegradation Timeframe): Weeks

Biowin5 (MITI Linear Model Prediction) : Not Readily Degradable

Biowin6 (MITI Non-Linear Model Prediction): Not Readily Degradable

Biowin7 (Anaerobic Model Prediction): Biodegrades Fast

Ready Biodegradability Prediction: NO

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Triazine ring (symmetric) | 0.0095 | 0.0095

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -0.2338 | -0.2338

Frag | 1 | Aromatic ether [-O-aromatic carbon] | 0.1319 | 0.1319

Frag | 1 | Trifluoromethyl group [-CF3] | -0.5204 | -0.5204

MolWt| * | Molecular Weight Parameter | | -0.0924

Const| * | Equation Constant | | 0.7475

============+============================================+=========+=========

RESULT | Biowin1 (Linear Biodeg Probability) | | 0.0424

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Triazine ring (symmetric) | -5.7252 | -5.7252

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -1.9070 | -1.9070

Frag | 1 | Aromatic ether [-O-aromatic carbon] | 2.2483 | 2.2483

Frag | 1 | Trifluoromethyl group [-CF3] | -5.6696 | -5.6696

MolWt| * | Molecular Weight Parameter | | -2.7565

============+============================================+=========+=========

RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.0000

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin3 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Triazine ring (symmetric) | -0.2459 | -0.2459

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -0.1349 | -0.1349

Frag | 1 | Aromatic ether [-O-aromatic carbon] | -0.0581 | -0.0581

Frag | 1 | Trifluoromethyl group [-CF3] | -0.5130 | -0.5130

MolWt| * | Molecular Weight Parameter | | -0.4290

Const| * | Equation Constant | | 3.1992

============+============================================+=========+=========

RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 1.8183

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Triazine ring (symmetric) | -0.0575 | -0.0575

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -0.1084 | -0.1084

Frag | 1 | Aromatic ether [-O-aromatic carbon] | 0.0771 | 0.0771

Frag | 1 | Trifluoromethyl group [-CF3] | -0.2744 | -0.2744

MolWt| * | Molecular Weight Parameter | | -0.2801

Const| * | Equation Constant | | 3.8477

============+============================================+=========+=========

RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.2045

============+============================================+=========+=========

Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks

(Primary & Ultimate) 2.00 -> months 1.00 -> longer

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin5 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Triazine ring (symmetric) | 0.1168 | 0.1168

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -0.1577 | -0.1577

Frag | 1 | Aromatic ether [-O-aromatic carbon] | 0.1952 | 0.1952

Frag | 3 | Fluorine [-F] | 0.0174 | 0.0521

Frag | 1 | Methyl [-CH3] | 0.0004 | 0.0004

MolWt| * | Molecular Weight Parameter | | -0.5775

Const| * | Equation Constant | | 0.7121

============+============================================+=========+=========

RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 0.3415

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Triazine ring (symmetric) | -9.3006 | -9.3006

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -1.2264 | -1.2264

Frag | 1 | Aromatic ether [-O-aromatic carbon] | 1.3227 | 1.3227

Frag | 3 | Fluorine [-F] | -3.9878 |-11.9635

Frag | 1 | Methyl [-CH3] | 0.0194 | 0.0194

MolWt| * | Molecular Weight Parameter | | -5.6039

============+============================================+=========+=========

RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.0000

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable

A Probability Less Than 0.5 indicates --> NOT Readily Degradable

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin7 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Triazine ring (symmetric) | -0.0783 | -0.0783

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -0.2778 | -0.2778

Frag | 1 | Aromatic ether [-O-aromatic carbon] | 0.1780 | 0.1780

Frag | 1 | Trifluoromethyl group [-CF3] | 0.0000 | 0.0000

Frag | 3 | Fluorine [-F] | 0.0000 | 0.0000

Frag | 1 | Methyl [-CH3] | -0.0796 | -0.0796

Const| * | Equation Constant | | 0.8361

============+============================================+=========+=========

RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | 0.5785

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

Ready Biodegradability Prediction: (YES or NO)

----------------------------------------------

Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey

model) result is "weeks" or faster (i.e. "days", "days to weeks", or

"weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then

the prediction is YES (readily biodegradable). If this condition is not

satisfied, the prediction is NO (not readily biodegradable). This method

is based on application of Bayesian analysis to ready biodegradation data

(see Help). Biowin5 and 6 also predict ready biodegradability, but for

degradation in the OECD301C test only; using data from the Chemicals

Evaluation and Research Institute Japan (CERIJ) database.

Applicant's summary and conclusion

Interpretation of results:: not readily biodegradable
Conclusions:: Based on the above criteria, the prediction for this substance is: not readily biodegradable
Executive summary:: Die Biodegradation in water was calculated/predicted with Biowin v4.10

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