Basic information
- Standard SMILES
N#Cc1ccc(N(Cc2cccc(OCc3ccccc3)c2)n2cnnc2)cc1- InChIKey
NKZUDSGNGVRXDW-UHFFFAOYSA-N- Molecular formula
- C23H19N5O
- Average molar mass
- 381.4 g/mol
Names & identifiers
- Preferred name
- 4-[(3-benzyloxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole
- IUPAC
- 4-[(3-phenylmethoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile
Names & synonyms
SCHEMBL2060037NKZUDSGNGVRXDW-UHFFFAOYSA-N4-[(3-benzyloxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole
Database identifiers
- PubChem CID
- 21976891
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 529
Related reactions
10 records
Compound notes
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