1-(6-Amino-1H-indazol-1-YL)ethanone
Basic information
- CAS
501653-37-8- Standard SMILES
CC(=O)n1ncc2ccc(N)cc21- InChIKey
ZFARJJGGGWHLDQ-UHFFFAOYSA-N- Molecular formula
- C9H9N3O
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.07456192
Names & identifiers
- Preferred name
- 1-(6-Amino-1H-indazol-1-YL)ethanone
- IUPAC
- 1-(6-aminoindazol-1-yl)ethanone
- English name
- 1-(6-amino-1H-indazol-1-yl)ethanone
- Molecular formula
- C9H9N3O
- Molecular weight
- 175.19
Names & synonyms
501653-37-81-(6-AMINO-1H-INDAZOL-1-YL)ETHANONE1-(6-aminoindazol-1-yl)ethanone1-(6-Amino-1H-indazol-1-yl)ethan-1-oneSCHEMBL15069177SCHEMBL30322999DTXSID80330155AKOS0063157091-(6-amino-1-indazolyl)ethanoneEthanone, 1-(6-amino-1H-indazol-1-yl)-
Database identifiers
- CAS
501653-37-8- PubChem CID
- 427152
- DTXSID
DTXSID80330155
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 394.7 · 394.7±34.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 2.47 · 2.47±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…