Basic information
- CAS
5334-54-3- Standard SMILES
Cn1cnc2c(cnn2C)c1=O- InChIKey
PVQKQWMEXZGTMR-UHFFFAOYSA-N- Molecular formula
- C7H8N4O
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.06981089
Names & identifiers
- Preferred name
- 1,5-Dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
- IUPAC
- 1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
Names & synonyms
5334-54-31,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one1,5-Dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-oneMLS002637572NSC-14371,5-Dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one1,5-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-oneNSC1437Allopurinol, dimethylC9Y8HRF6N7SCHEMBL959271Allopurinol di-methyl derivative
Show more names
CHEMBL1882301PVQKQWMEXZGTMR-UHFFFAOYSA-DTXSID20277277PVQKQWMEXZGTMR-UHFFFAOYSA-NHMS3082C19AKOS030554215SMR001547103CS-0348830
Database identifiers
- CAS
5334-54-3- PubChem CID
- 219764
- DTXSID
DTXSID20277277- ChEMBL
CHEMBL1882301- UNII
- C9Y8HRF6N7
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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