Basic information
- Standard SMILES
C=CCn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21- InChIKey
STUXLJREBRDEOX-UHFFFAOYSA-N- Molecular formula
- C18H15N5
- Average molar mass
- 301.3 g/mol
Names & identifiers
- Preferred name
- 1-allyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 3-naphthalen-2-yl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
1-allyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineCHEMBL1241488SCHEMBL30387571STUXLJREBRDEOX-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 24905271
- ChEMBL
CHEMBL1241488
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Related reactions
3 records
Compound notes
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