Basic information
- Standard SMILES
CC(C)CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)ccn2c1=O- InChIKey
QEFLBLJJNCRDPV-UHFFFAOYSA-N- Molecular formula
- C23H21Cl2N3O
- Average molar mass
- 426.3 g/mol
Names & identifiers
- Preferred name
- 7,8-bis(4-chlorophenyl)-2-isopentyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- IUPAC
- 7,8-bis(4-chlorophenyl)-2-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
Names & synonyms
SCHEMBL4487504QEFLBLJJNCRDPV-UHFFFAOYSA-N7,8-bis(4-chlorophenyl)-2-isopentyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Database identifiers
- PubChem CID
- 57799381
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 714
Related reactions
2 records
Compound notes
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