3-(p-Tolyl)-1H-pyrazolo[3,4-d]pyrimidine
Basic information
- CAS
779325-81-4- Standard SMILES
Cc1ccc(-c2[nH]nc3ncncc23)cc1- InChIKey
ZUVXYDOXVIPKNN-UHFFFAOYSA-N- Molecular formula
- C12H10N4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.09054634
Names & identifiers
- Preferred name
- 3-(p-Tolyl)-1H-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 3-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidine
- English name
- 1H-Pyrazolo[3,4-d]pyrimidine,3-(4-methylphenyl)-(9CI)
- Molecular formula
- C12H10N4
- Molecular weight
- 210.2346
Names & synonyms
3-(p-Tolyl)-1H-pyrazolo[3,4-d]pyrimidine779325-81-43-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine1H-Pyrazolo[3,4-d]pyrimidine,3-(4-methylphenyl)-(9CI)
Database identifiers
- CAS
779325-81-4- PubChem CID
- 45097233
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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