Basic information
- Standard SMILES
CC(Br)c1nc2c(cnn2C(C)C)c(=O)[nH]1- InChIKey
IXOSQDKYNWKQNT-UHFFFAOYSA-N- Molecular formula
- C10H13BrN4O
- Average molar mass
- 285.14 g/mol
Names & identifiers
- Preferred name
- 6-(1-Bromoethyl)-1-isopropyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
- IUPAC
- 6-(1-bromoethyl)-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
Names & synonyms
SCHEMBL3002324DB-1692126-(1-bromoethyl)-1-isopropyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one1236861-53-2
Database identifiers
- PubChem CID
- 136124678
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 331
Related reactions
1 records
Compound notes
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