Basic information
- Standard SMILES
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(C4(C#N)CC4)cc3)nnc2c1- InChIKey
DKXAZRADCREZPU-UHFFFAOYSA-N- Molecular formula
- C26H23N5
- Average molar mass
- 405.5 g/mol
Names & identifiers
- Preferred name
- 1-{4-[7-(2,6-Dimethyl-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-phenyl}-cyclopropanecarbonitrile
- IUPAC
- 1-[4-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]cyclopropane-1-carbonitrile
Names & synonyms
SCHEMBL4266503CHEMBL3648009BDBM97810DKXAZRADCREZPU-UHFFFAOYSA-NUS8481536, 3241-{4-[7-(2,6-dimethyl-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-phenyl}-cyclopropanecarbonitrile
Database identifiers
- PubChem CID
- 11603841
- ChEMBL
CHEMBL3648009
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 663
Related reactions
2 records
Compound notes
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