9H-[1,2,4]oxadiazolo[3,2-f]purin-2-one
Basic information
- CAS
61284-00-2- Standard SMILES
O=c1nc2c3[nH]cnc3ncn2o1- InChIKey
YNUAHXQAVBMIGJ-UHFFFAOYSA-N- Molecular formula
- C6H3N5O2
- Average molar mass
- 177.12 g/mol
- Monoisotopic mass
- 177.02867436
Names & identifiers
- Preferred name
- 9H-[1,2,4]oxadiazolo[3,2-f]purin-2-one
- IUPAC
- 9H-[1,2,4]oxadiazolo[3,2-f]purin-2-one
Names & synonyms
9H-[1,2,4]oxadiazolo[3,2-f]purin-2-one61284-00-2NSC290946DTXSID60315001NSC-290946[1,2,4]Oxadiazolo[3,2-i]purin-2(9H)-one
Database identifiers
- CAS
61284-00-2- PubChem CID
- 324699
- DTXSID
DTXSID60315001
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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