1H-Pyrazolo(3,4-b)pyridin-3,6-diamine, 4-phenyl-
Basic information
- CAS
52333-02-5- Standard SMILES
Nc1cc(-c2ccccc2)c2c(N)[nH]nc2n1- InChIKey
ZBDCERWOULPXBC-UHFFFAOYSA-N- Molecular formula
- C12H11N5
- Average molar mass
- 225.25 g/mol
- Monoisotopic mass
- 225.10144537
Names & identifiers
- Preferred name
- 1H-Pyrazolo(3,4-b)pyridin-3,6-diamine, 4-phenyl-
- IUPAC
- 4-phenyl-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
Names & synonyms
1H-Pyrazolo(3,4-b)pyridin-3,6-diamine, 4-phenyl-4-Phenyl-1H-pyrazolo(3,4-b)pyridin-3,6-diamine52333-02-53,6-Diamino-4-phenyl-1H-pyrazolo(3,4-b)pyridineDTXSID50200356RefChem:240079DTXCID501228474-phenyl-2H-pyrazolo[3,4-b]pyridine-3,6-diamineSCHEMBL11370991
Database identifiers
- CAS
52333-02-5- PubChem CID
- 3040486
- DTXSID
DTXSID50200356
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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