Basic information
- CAS
30129-52-3- Standard SMILES
Clc1nc(-c2ccccc2)nc2[nH]ncc12- InChIKey
HRPLQFSPXMTKGQ-UHFFFAOYSA-N- Molecular formula
- C11H7ClN4
- Average molar mass
- 230.65 g/mol
- Monoisotopic mass
- 230.0359239
Names & identifiers
- Preferred name
- 4-Chloro-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 4-chloro-6-phenyl-1H-pyrazolo[5,4-d]pyrimidine
Names & synonyms
4-Chloro-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine30129-52-3DTXSID001246376
Database identifiers
- CAS
30129-52-3- PubChem CID
- 11615561
- DTXSID
DTXSID001246376
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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