Basic information
- Standard SMILES
CC(C)Cn1nc2c(-c3ccc(C#N)cc3)c(-c3ccc(C#N)cc3)ccn2c1=O- InChIKey
DUICWCKGQOZPNK-UHFFFAOYSA-N- Molecular formula
- C24H19N5O
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- 7,8-bis(4-cyanophenyl)-2-isobutyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- IUPAC
- 4-[8-(4-cyanophenyl)-2-(2-methylpropyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzonitrile
Names & synonyms
SCHEMBL4471352DUICWCKGQOZPNK-UHFFFAOYSA-N7,8-bis(4-cyanophenyl)-2-isobutyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Database identifiers
- PubChem CID
- 57799453
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 879
Related reactions
1 records
Compound notes
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