Basic information
- Standard SMILES
Cc1cc(Cl)cc2nn(CC(C)(N)C#N)nc12- InChIKey
AUVFSUIJBZCMRH-UHFFFAOYSA-N- Molecular formula
- C11H12ClN5
- Average molar mass
- 249.7 g/mol
Names & identifiers
- Preferred name
- 2-amino-3-(6-chloro-4-methyl-2H-benzotriazol-2-yl)-2-methylpropionitrile
- IUPAC
- 2-amino-3-(6-chloro-4-methylbenzotriazol-2-yl)-2-methylpropanenitrile
Names & synonyms
SCHEMBL203365AUVFSUIJBZCMRH-UHFFFAOYSA-N2-amino-3-(6-chloro-4-methyl-2H-benzotriazol-2-yl)-2-methylpropionitrile
Database identifiers
- PubChem CID
- 66620166
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 340
Related reactions
10 records
Compound notes
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