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Basic information
- Standard SMILES
Cc1c(C(=O)Nc2ccccc2)nnn1-c1ccnc2cc(C(F)(F)F)ccc12- InChIKey
LNGAXPDIBURMAO-UHFFFAOYSA-N- Molecular formula
- C20H14F3N5O
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.11504457
Names & identifiers
- Preferred name
- 5-methyl-N-phenyl-1-[7-(trifluoromethyl)-4-quinolyl]triazole-4-carboxamide
- IUPAC
- 5-methyl-N-phenyl-1-[7-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide
Names & synonyms
NSC681327CHEMBL1999552NSC-681327NCI60_0290605-methyl-N-phenyl-1-[7-(trifluoromethyl)-4-quinolyl]triazole-4-carboxamide5-Methyl-N-phenyl-1-(7-(trifluoromethyl)-4-quinolinyl)-1H-1,2,3-triazole-4-carboxamide
Database identifiers
- PubChem CID
- 387516
- ChEMBL
CHEMBL1999552- Nikkaji
- J628.312H
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
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Compound notes
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