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Basic information
- Standard SMILES
Cc1ccc(-c2ccn3c(=O)n(Cc4ccc(C(F)(F)F)cc4)nc3c2Cl)cc1- InChIKey
NGULALDPDNVXEI-UHFFFAOYSA-N- Molecular formula
- C21H15ClF3N3O
- Average molar mass
- 417.8 g/mol
- Monoisotopic mass
- 417.0855743
Names & identifiers
- Preferred name
- 2-(4-(trifluoromethyl)benzyl)-8-chloro-7-p-tolyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- IUPAC
- 8-chloro-7-(4-methylphenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Names & synonyms
2-(4-(trifluoromethyl)benzyl)-8-chloro-7-p-tolyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneSCHEMBL4484236
Database identifiers
- PubChem CID
- 57799443
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 745
Related reactions
4 records
Compound notes
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