Basic information
- Standard SMILES
Clc1ccc(-n2ncnc2-c2cnccn2)cc1- InChIKey
QDTAHNQGIWDRQM-UHFFFAOYSA-N- Molecular formula
- C12H8ClN5
- Average molar mass
- 257.68 g/mol
Names & identifiers
- Preferred name
- 2-[1-(p-Chlorophenyl)-1H-1,2,4-triazol-5-yl]pyrazine
- IUPAC
- 2-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyrazine
Names & synonyms
SCHEMBL11253230QDTAHNQGIWDRQM-UHFFFAOYSA-N2-[1-(p-Chlorophenyl)-1H-1,2,4-triazol-5yl]pyrazine2-[1-(p-Chlorophenyl)-1H-1,2,4-triazol-5-yl ]pyrazine
Database identifiers
- PubChem CID
- 12850296
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Related reactions
2 records
Compound notes
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