Basic information
- Standard SMILES
O=C(c1ccccc1Cl)N1CCn2c(nnc2-c2ccc(F)cn2)C1- InChIKey
HWVODVRUVXSUER-UHFFFAOYSA-N- Molecular formula
- C17H13ClFN5O
- Average molar mass
- 357.8 g/mol
Names & identifiers
- Preferred name
- 7-[(2-Chlorophenyl)carbonyl]-3-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
- IUPAC
- (2-chlorophenyl)-[3-(5-fluoro-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
Names & synonyms
SCHEMBL109693CHEMBL2218225HWVODVRUVXSUER-UHFFFAOYSA-N7-[(2-chlorophenyl)carbonyl]-3-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
Database identifiers
- PubChem CID
- 66599349
- ChEMBL
CHEMBL2218225
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Related reactions
1 records
Compound notes
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