Basic information
- Standard SMILES
Cc1cn(-c2ccc(Nc3nc(C)n(C)n3)cc2C#N)cn1- InChIKey
FOVQDRFPTRUAKG-UHFFFAOYSA-N- Molecular formula
- C15H15N7
- Average molar mass
- 293.33 g/mol
- Monoisotopic mass
- 293.13889351
Names & identifiers
- Preferred name
- 5-(1,5-Dimethyl-1H-[1,2,4]triazol-3-ylamino)-2-(4-methyl-imidazol-1-yl)-benzonitrile
- IUPAC
- 5-[(1,5-dimethyl-1,2,4-triazol-3-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile
Names & synonyms
SCHEMBL2360971FOVQDRFPTRUAKG-UHFFFAOYSA-N5-(1,5-Dimethyl-1H-[1,2,4]triazol-3-ylamino)-2-(4-methyl-imidazol-1-yl)-benzonitrile
Database identifiers
- PubChem CID
- 59324067
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 433
Related reactions
2 records
Compound notes
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