6-Methyl-1,3,5-triazine-2,4(1H,3H)-dione
Basic information
- CAS
933-19-7- Standard SMILES
Cc1nc(=O)[nH]c(=O)[nH]1- InChIKey
KZVYWMJOLANZSI-UHFFFAOYSA-N- Molecular formula
- C4H5N3O2
- Average molar mass
- 127.1 g/mol
- Monoisotopic mass
- 127.03817641
Names & identifiers
- Preferred name
- 6-Methyl-1,3,5-triazine-2,4(1H,3H)-dione
- IUPAC
- 6-methyl-1H-1,3,5-triazine-2,4-dione
- English name
- 6-Methyl-1,3,5-triazine-2,4(1H,3H)-dione
- Molecular formula
- C4H5N3O2
- Molecular weight
- 127.1
Names & synonyms
6-Methyl-1,3,5-triazine-2,4(1H,3H)-dione933-19-76-methyl-1H-1,3,5-triazine-2,4-dione1,3,5-Triazine-2,4(1H,3H)-dione, 6-methyl-6-Methyl-5-azauracil6-Methyl-1,3,5-triazine-2,4-diolChlorsulfuron-triazinoneSCHEMBL1244575SCHEMBL11018441SCHEMBL18037706SCHEMBL28282351DTXSID30918523
Show more names
1,3,5-Triazin-2(1H)-one, 4-hydroxy-6-methyl-
IN-F5475MFCD15203614AKOS015865898SB73631SY044949DB-359569NS00067685H56892
Database identifiers
- CAS
933-19-7- PubChem CID
- 16443
- DTXSID
DTXSID30918523- Nikkaji
- J1.552.939C
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 196
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Melting point
- 267 · 267-276 °C (decomp)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO, Methanol
- form
- Solid
- pka
- 6.35 · 6.35±0.70(Predicted)
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
Uses6-Methyl-1,3,5-triazine-2,4(1H,3H)-dione is a metabolite of metsulfuron methyl that has been found in soil.
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Related reactions
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Compound notes
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