Basic information
- CAS
74537-43-2- Standard SMILES
CC(Sc1ncnc2[nH]ncc12)C(N)=O- InChIKey
KMGWZKRBTDTFCD-UHFFFAOYSA-N- Molecular formula
- C8H9N5OS
- Average molar mass
- 223.26 g/mol
- Monoisotopic mass
- 223.0527811
Names & identifiers
- Preferred name
- 2-[(1H-Pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]propanamide
- IUPAC
- 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)propanamide
Names & synonyms
74537-43-2NSC377833DTXSID003215652-[(1H-Pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]propanamideNSC-377833
Database identifiers
- CAS
74537-43-2- PubChem CID
- 342183
- DTXSID
DTXSID00321565
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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