Basic information
- Standard SMILES
O=C(c1ccc(Cl)c(F)c1Cl)N1CCn2c(nnc2-c2ccncn2)C1- InChIKey
ZIPLPYGIRYAFHV-UHFFFAOYSA-N- Molecular formula
- C16H11Cl2FN6O
- Average molar mass
- 393.2 g/mol
- Monoisotopic mass
- 392.0355425
Names & identifiers
- Preferred name
- 7-[(2,4-Dichloro-3-fluorophenyl)carbonyl]-3-(4-pyrimidinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
- IUPAC
- (2,4-dichloro-3-fluorophenyl)-(3-pyrimidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
Names & synonyms
SCHEMBL108416CHEMBL2218232ZIPLPYGIRYAFHV-UHFFFAOYSA-N7-[(2,4-Dichloro-3-fluorophenyl)carbonyl]-3-(4-pyrimidinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
Database identifiers
- PubChem CID
- 66599138
- ChEMBL
CHEMBL2218232
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 531
Related reactions
1 records
Compound notes
Loading…