1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride

HCID 215745

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Basic information

CAS: 36174-05-7
Standard SMILES: Cl.Nc1ccc2cnn(C(=O)c3ccccc3)c2c1
InChIKey: OTXFWKDCJSVUBJ-UHFFFAOYSA-N
Molecular formula: C14H12ClN3O
Average molar mass: 273.72 g/mol
Monoisotopic mass: 273.0668897

Names & identifiers

Preferred name: 1H-Indazole-6-amine, 1-benzoyl-, monohydrochloride
IUPAC: (6-aminoindazol-1-yl)-phenylmethanone;hydrochloride

Names & synonyms

36174-05-71H-Indazole-6-amine, 1-benzoyl-, monohydrochloride1-Benzoyl-1H-indazole-6-amine monohydrochlorideBenzoyl-1 amino-6 indazole chlorhydrate [French]Benzoyl-1 amino-6 indazole chlorhydrateDTXSID40189742RefChem:238412DTXCID00112233(6-Amino-1H-indazol-1-yl)(phenyl)methanone hydrochloride1-benzoyl-1H-indazol-6-amine hydrochloride(6-Amino-1H-indazol-1-yl)(phenyl)methanonehydrochloride(6-Amino-1H-indazol-1-yl)(phenyl)methanone--hydrogen chloride (1/1)

Database identifiers

CAS: 36174-05-7
PubChem CID: 215745
DTXSID: DTXSID40189742

Properties

Computed structural properties

Topological polar surface area: 60.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 314

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