Basic information
- Standard SMILES
CCCC(Br)CN(c1ccc(C#N)cc1)n1cnnc1- InChIKey
RBOBSEZFNXIIQE-UHFFFAOYSA-N- Molecular formula
- C14H16BrN5
- Average molar mass
- 334.21 g/mol
Names & identifiers
- Preferred name
- 4-[(2-Bromo-pentyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile
- IUPAC
- 4-[2-bromopentyl(1,2,4-triazol-4-yl)amino]benzonitrile
Names & synonyms
SCHEMBL3234615RBOBSEZFNXIIQE-UHFFFAOYSA-N4-[(2-Bromo-pentyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile
Database identifiers
- PubChem CID
- 21976922
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Related reactions
2 records
Compound notes
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