Basic information
- CAS
5334-55-4- Standard SMILES
CC(=O)Oc1ncnc2c1cnn2C- InChIKey
UJSFCVIMPYDMSX-UHFFFAOYSA-N- Molecular formula
- C8H8N4O2
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.06472551
Names & identifiers
- Preferred name
- (1-Methylpyrazolo[3,4-d]pyrimidin-4-yl) acetate
- IUPAC
- (1-methylpyrazolo[5,4-d]pyrimidin-4-yl) acetate
Names & synonyms
5334-55-4(1-methylpyrazolo[3,4-d]pyrimidin-4-yl) acetate1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl acetateNSC1438DTXSID80277278NSC-14381-METHYLPYRAZOLO[3, ACETATE ESTER
Database identifiers
- CAS
5334-55-4- PubChem CID
- 219765
- DTXSID
DTXSID80277278
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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