N-(3-cyano-2H-pyrazolo[3,4-d]pyrimidin-4-yl)acetamide
Basic information
- CAS
55559-48-3- Standard SMILES
CC(=O)Nc1ncnc2n[nH]c(C#N)c12- InChIKey
OXEMELLXPYSEMF-UHFFFAOYSA-N- Molecular formula
- C8H6N6O
- Average molar mass
- 202.17 g/mol
- Monoisotopic mass
- 202.06030884
Names & identifiers
- Preferred name
- N-(3-cyano-2H-pyrazolo[3,4-d]pyrimidin-4-yl)acetamide
- IUPAC
- N-(3-cyano-2H-pyrazolo[3,4-d]pyrimidin-4-yl)acetamide
Names & synonyms
55559-48-3N-(3-cyano-2H-pyrazolo[3,4-d]pyrimidin-4-yl)acetamideNSC218416SCHEMBL11840598SCHEMBL11840605DTXSID20309885NSC-218416
Database identifiers
- CAS
55559-48-3- PubChem CID
- 311883
- DTXSID
DTXSID20309885
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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