Basic information
- Standard SMILES
Nc1ncnc2c1cnn2-c1cccc(-n2cccc2)c1- InChIKey
USEQSQAGYIALSA-UHFFFAOYSA-N- Molecular formula
- C15H12N6
- Average molar mass
- 276.3 g/mol
Names & identifiers
- Preferred name
- 1-(3-Pyrrol-1-yl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine
- IUPAC
- 1-(3-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
896134-81-9SCHEMBL3878784USEQSQAGYIALSA-UHFFFAOYSA-NDB-1806771-(3-Pyrrol-1-yl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine1-[3-(1H-pyrrol-1-yl)phenyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 57750253
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Related reactions
2 records
Compound notes
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