Basic information
- Standard SMILES
O=c1[nH]nc2cc(-c3ccc(Cl)cc3)ncn12- InChIKey
JKJQANDLTZFGTB-UHFFFAOYSA-N- Molecular formula
- C11H7ClN4O
- Average molar mass
- 246.65 g/mol
- Monoisotopic mass
- 246.0308386
Names & identifiers
- Preferred name
- 7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
- IUPAC
- 7-(4-chlorophenyl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
Names & synonyms
SCHEMBL4836554JKJQANDLTZFGTB-UHFFFAOYSA-N7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Database identifiers
- PubChem CID
- 58772844
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 435
Related reactions
3 records
Compound notes
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