Basic information
- Standard SMILES
Cc1c(Cn2nc3c(-c4ccncc4)c(-c4ccc(Cl)cc4)ccn3c2=O)ccc(C(F)(F)F)[n+]1[O-]- InChIKey
BJKNLOOBSLXMOS-UHFFFAOYSA-N- Molecular formula
- C25H17ClF3N5O2
- Average molar mass
- 511.9 g/mol
- Monoisotopic mass
- 511.102287
Names & identifiers
- Preferred name
- 3-((7-(4-chlorophenyl)-3-oxo-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)methyl)-2-methyl-6-(trifluoromethyl)pyridine 1-oxide
- IUPAC
- 7-(4-chlorophenyl)-2-[[2-methyl-1-oxido-6-(trifluoromethyl)pyridin-1-ium-3-yl]methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
Names & synonyms
3-((7-(4-chlorophenyl)-3-oxo-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)methyl)-2-methyl-6-(trifluoromethyl)pyridine 1-oxideSCHEMBL4480726
Database identifiers
- PubChem CID
- 57799355
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 940
Related reactions
5 records
Linked notes
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