2-amino-3-(6-chloro-3-ethoxy-2H-indazol-2-yl)-2-methylpropionitrile
Basic information
- Standard SMILES
CCOc1c2ccc(Cl)cc2nn1CC(C)(N)C#N- InChIKey
NAHIQHCNJNDBGK-UHFFFAOYSA-N- Molecular formula
- C13H15ClN4O
- Average molar mass
- 278.74 g/mol
- Monoisotopic mass
- 278.0934388
Names & identifiers
- Preferred name
- 2-amino-3-(6-chloro-3-ethoxy-2H-indazol-2-yl)-2-methylpropionitrile
- IUPAC
- 2-amino-3-(6-chloro-3-ethoxyindazol-2-yl)-2-methylpropanenitrile
Names & synonyms
SCHEMBL203752NAHIQHCNJNDBGK-UHFFFAOYSA-N2-amino-3-(6-chloro-3-ethoxy-2H-indazol-2-yl)-2-methylpropionitrile
Database identifiers
- PubChem CID
- 66620311
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Related reactions
5 records
Compound notes
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