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Molecule record

3-hydroxypurine

C5H4N4O

136.11 g/mol

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Molecular properties

Formula
C5H4N4O
Molar mass
136.11 g·mol−1
Exact mass
136.0385 Da
6
PubChem CID
206592

Functional groups

Aromatic ring

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1H-Purine, 3-oxide
  • 28199-55-5
  • 3H-Purin-3-ol
  • 67900-85-0
  • BRN 1210835
  • DTXSID50950940
  • Purine 3-oxide
  • Purine N-oxide
Show all 11 synonyms
  • SCHEMBL276781
  • SCHEMBL276782
  • VP3LVT5PG6

Structure identifiers

Canonical SMILES
On1cncc2ncnc1-2
Isomeric SMILES
C1=C2C(=NC=N2)N(C=N1)O
InChI
InChI=1S/C5H4N4O/c10-9-3-6-1-4-5(9)8-2-7-4/h1-3,10H
InChIKey
CYYQSLSRZGVVHE-UHFFFAOYSA-N
PubChem CID
206592

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 3-hydroxypurine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-hydroxypurine; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record