Basic information
- Standard SMILES
Cc1nc(-c2ccc(Cl)cc2)c(Br)c2nn(Cc3ccc(C(F)(F)F)nc3)c(=O)n12- InChIKey
NDQPOJGZSSVHCB-UHFFFAOYSA-N- Molecular formula
- C19H12BrClF3N5O
- Average molar mass
- 498.7 g/mol
Names & identifiers
- Preferred name
- 8-bromo-7-(4-chlorophenyl)-5-methyl-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
- IUPAC
- 8-bromo-7-(4-chlorophenyl)-5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
Names & synonyms
8-bromo-7-(4-chlorophenyl)-5-methyl-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-oneSCHEMBL4836654
Database identifiers
- PubChem CID
- 58772843
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 806
Related reactions
4 records
Compound notes
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