Basic information
- CAS
677306-39-7- Standard SMILES
O=C(N[C@@H]1CN2CCC1CC2)c1cccc2[nH]ncc12- InChIKey
OZDWSZJHOSFRKG-CQSZACIVSA-N- Molecular formula
- C15H18N4O
- Average molar mass
- 270.33 g/mol
- Monoisotopic mass
- 270.14806121
Names & identifiers
- Preferred name
- N-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-1H-indazole-4-carboxamide
- IUPAC
- N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indazole-4-carboxamide
Names & synonyms
SCHEMBL260898DTXSID601185871N-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-1H-indazole-4-carboxamide677306-39-7N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indazole-4-carboxamide
Database identifiers
- CAS
677306-39-7- PubChem CID
- 59797472
- DTXSID
DTXSID601185871
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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