Basic information
- Standard SMILES
Cc1c(C(=O)N2CCn3c(nnc3-c3ncns3)C2)ccc(F)c1Cl- InChIKey
AYKVECGHWFXSHI-UHFFFAOYSA-N- Molecular formula
- C15H12ClFN6OS
- Average molar mass
- 378.8 g/mol
- Monoisotopic mass
- 378.0465861
Names & identifiers
- Preferred name
- 7-[(3-Chloro-4-fluoro-2-methylphenyl)carbonyl]-3-(1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
- IUPAC
- (3-chloro-4-fluoro-2-methylphenyl)-[3-(1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
Names & synonyms
SCHEMBL110280AYKVECGHWFXSHI-UHFFFAOYSA-N7-[(3-Chloro-4-fluoro-2-methylphenyl)carbonyl]-3-(1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
Database identifiers
- PubChem CID
- 66599432
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 518
Related reactions
2 records
Compound notes
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