2-(4-Hydroxybutyl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Basic information
- CAS
923284-12-2- Standard SMILES
O=c1[nH]cnc2cn(CCCCO)nc12- InChIKey
IYMTWXMLLQRFPZ-UHFFFAOYSA-N- Molecular formula
- C9H12N4O2
- Average molar mass
- 208.22 g/mol
- Monoisotopic mass
- 208.09602564
Names & identifiers
- Preferred name
- 2-(4-Hydroxybutyl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
- IUPAC
- 2-(4-hydroxybutyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
Names & synonyms
923284-12-22-(4-Hydroxybutyl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one2-(4-hydroxybutyl)-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-oneSCHEMBL12725373DTXSID507382602-(4-Hydroxybutyl)-2,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Database identifiers
- CAS
923284-12-2- PubChem CID
- 136257900
- DTXSID
DTXSID50738260
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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