Basic information
- Standard SMILES
CC(N)(C#N)Cn1nc2ccc(Cl)cc2n1- InChIKey
OYHGHOUSZSDYLZ-UHFFFAOYSA-N- Molecular formula
- C10H10ClN5
- Average molar mass
- 235.67 g/mol
Names & identifiers
- Preferred name
- 2-amino-3-(5-chloro-2H-benzotriazol-2-yl)-2-methylpropionitrile
- IUPAC
- 2-amino-3-(5-chlorobenzotriazol-2-yl)-2-methylpropanenitrile
Names & synonyms
SCHEMBL203036OYHGHOUSZSDYLZ-UHFFFAOYSA-N2-amino-3-(5-chloro-2H-benzotriazol-2-yl)-2-methylpropionitrile
Database identifiers
- PubChem CID
- 66620045
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 314
Related reactions
5 records
Compound notes
Loading…