Basic information
- Standard SMILES
O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2c(-c3ccc(CO)cc3)c(-c3ccc(Cl)cc3)ncn12- InChIKey
RPKMJGMJYWXFRM-UHFFFAOYSA-N- Molecular formula
- C25H17ClF3N5O2
- Average molar mass
- 511.9 g/mol
- Monoisotopic mass
- 511.102287
Names & identifiers
- Preferred name
- 7-(4-chlorophenyl)-8-(4-(hydroxymethyl)phenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
- IUPAC
- 7-(4-chlorophenyl)-8-[4-(hydroxymethyl)phenyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
Names & synonyms
7-(4-chlorophenyl)-8-(4-(hydroxymethyl)phenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-oneSCHEMBL4841688
Database identifiers
- PubChem CID
- 15953702
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 923
Related reactions
2 records
Compound notes
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