7-[(2,4-Dichlorophenyl)carbonyl]-3-(5-methyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
Basic information
- Standard SMILES
Cc1scnc1-c1nnc2n1CCN(C(=O)c1ccc(Cl)cc1Cl)C2- InChIKey
BDBULDLJMDURHH-UHFFFAOYSA-N- Molecular formula
- C16H13Cl2N5OS
- Average molar mass
- 394.3 g/mol
Names & identifiers
- Preferred name
- 7-[(2,4-Dichlorophenyl)carbonyl]-3-(5-methyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
- IUPAC
- (2,4-dichlorophenyl)-[3-(5-methyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
Names & synonyms
SCHEMBL108448BDBULDLJMDURHH-UHFFFAOYSA-N7-[(2,4-dichlorophenyl)carbonyl]-3-(5-methyl-1,3-thiazol-4-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
Database identifiers
- PubChem CID
- 66599147
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 515
Related reactions
1 records
Compound notes
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