3-Amino-1H-indazole-7-carbonitrile
Basic information
- CAS
1137451-25-2- Standard SMILES
N#Cc1cccc2c(N)n[nH]c12- InChIKey
YXHCJGVHKGTEFH-UHFFFAOYSA-N- Molecular formula
- C8H6N4
- Average molar mass
- 158.16 g/mol
- Monoisotopic mass
- 158.05924621
Names & identifiers
- Preferred name
- 3-Amino-1H-indazole-7-carbonitrile
- IUPAC
- 3-amino-1H-indazole-7-carbonitrile
- English name
- 3-AMino-1H-indazole-7-carbonitrile
- Molecular formula
- C8H6N4
- Molecular weight
- 158.16
Names & synonyms
3-Amino-1H-indazole-7-carbonitrile1137451-25-2DTXSID50635947RefChem:276317DTXCID60586698MFCD001211271H-Indazole-7-carbonitrile, 3-amino-Oprea1_031238AKOS016001955DS-3614DB-262105CS-0157009
Show more names
F31144
Database identifiers
- CAS
1137451-25-2- PubChem CID
- 23933341
- DTXSID
DTXSID50635947
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 472.6 · 472.6±25.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 11.76 · 11.76±0.40(Predicted)
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Related reactions
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Compound notes
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