Basic information
- Standard SMILES
Cc1nc(C(F)(F)F)ccc1Cn1nc2c(-c3ccc(CC#N)cc3)c(-c3ccc(Cl)cc3)ccn2c1=O- InChIKey
LOLLNEKSJBFYTG-UHFFFAOYSA-N- Molecular formula
- C28H19ClF3N5O
- Average molar mass
- 533.9 g/mol
Names & identifiers
- Preferred name
- 2-(4-(7-(4-Chlorophenyl)-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-3-oxo-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)phenyl)acetonitrile
- IUPAC
- 2-[4-[7-(4-chlorophenyl)-2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]acetonitrile
Names & synonyms
2-(4-(7-(4-chlorophenyl)-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-3-oxo-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)phenyl)acetonitrileSCHEMBL4493167
Database identifiers
- PubChem CID
- 16005202
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
2 records
Compound notes
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