Basic information
- Standard SMILES
Cc1ccc(NNC(=O)/C=C\n2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)nc1- InChIKey
PIYXBGVMDBZULU-PLNGDYQASA-N- Molecular formula
- C19H14F6N6O
- Average molar mass
- 456.3 g/mol
- Monoisotopic mass
- 456.11332806
Names & identifiers
- Preferred name
- (Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-N'-(5-methylpyridin-2-yl)acrylohydrazide
- IUPAC
- (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(5-methyl-2-pyridinyl)prop-2-enehydrazide
Names & synonyms
(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-N'-(5-methylpyridin-2-yl)acrylohydrazideSCHEMBL14678304
Database identifiers
- PubChem CID
- 71492987
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 650
Related reactions
3 records
Compound notes
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