Basic information
- CAS
133840-80-9- Standard SMILES
Cc1nn(-c2ccccc2)c(=O)n1C(F)F- InChIKey
JDUJDNHTOSKQRA-UHFFFAOYSA-N- Molecular formula
- C10H9F2N3O
- Average molar mass
- 225.19 g/mol
- Monoisotopic mass
- 225.07136835
Names & identifiers
- Preferred name
- 4-Difluoromethyl-3-methyl-1-phenyl-1H-1,2,4-triazol-5(4H)-one
- IUPAC
- 4-(difluoromethyl)-5-methyl-2-phenyl-1,2,4-triazol-3-one
Names & synonyms
4-Difluoromethyl-3-methyl-1-phenyl-1H-1,2,4-triazol-5(4H)-oneSCHEMBL8660425DTXSID2013879664-(Difluoromethyl)-2,4-dihydro-5-methyl-2-phenyl-3H-1,2,4-triazol-3-one4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-1,2,4-triazole133840-80-9
Database identifiers
- CAS
133840-80-9- PubChem CID
- 11085461
- DTXSID
DTXSID201387966
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 313
Related reactions
4 records
Compound notes
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