Basic information
- Standard SMILES
O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccncc2)C1- InChIKey
OBOYMASGCBECPH-UHFFFAOYSA-N- Molecular formula
- C18H13ClF3N5O
- Average molar mass
- 407.8 g/mol
Names & identifiers
- Preferred name
- 7-{[2-Chloro-3-(trifluoromethyl)phenyl]carbonyl}-3-(4-pyridinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
- IUPAC
- [2-chloro-3-(trifluoromethyl)phenyl]-(3-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
Names & synonyms
7-{[2-chloro-3-(trifluoromethyl)phenyl]carbonyl}-3-(4-pyridinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazineSCHEMBL108537CHEMBL2218674
Database identifiers
- PubChem CID
- 66599174
- ChEMBL
CHEMBL2218674
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 574
Related reactions
2 records
Compound notes
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