Basic information
- Standard SMILES
O=C1NCC(O)n2nc(COc3ccccc3)cc21- InChIKey
TVMILTNOOSZDCS-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.09569129
Names & identifiers
- Preferred name
- (rac)-7-hydroxy-2-phenoxymethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
- IUPAC
- 7-hydroxy-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
Names & synonyms
SCHEMBL9936870TVMILTNOOSZDCS-UHFFFAOYSA-N(rac)-7-hydroxy-2-phenoxymethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
Database identifiers
- PubChem CID
- 67973603
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
2 records
Compound notes
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