1-Benzylhypoxanthine
Basic information
- CAS
7074-59-1- Standard SMILES
O=c1c2[nH]cnc2ncn1Cc1ccccc1- InChIKey
SVDKHKDEPPBDQZ-UHFFFAOYSA-N- Molecular formula
- C12H10N4O
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08546096
Names & identifiers
- Preferred name
- 1-Benzylhypoxanthine
- IUPAC
- 1-benzyl-7H-purin-6-one
Names & synonyms
1-benzylhypoxanthine7074-59-1NSC212394SCHEMBL3306010SCHEMBL5982153SCHEMBL30947391DTXSID50309611Purine-6(1H)-one, 1-benzyl-SVDKHKDEPPBDQZ-UHFFFAOYSA-NNSC-2123941-Benzyl-1,7-dihydro-6H-purin-6-one
Database identifiers
- CAS
7074-59-1- PubChem CID
- 309933
- DTXSID
DTXSID50309611
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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