Molecular properties
- Formula
- C5H3N5O2
- Molar mass
- 165.11 g·mol−1
- Exact mass
- 165.0287 Da
- 7
- PubChem CID
- 149999989
Molecule record
3-nitropurine
C5H3N5O2
165.11 g/mol
Loading structure
Functional groups
Aromatic ring
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
No synonyms are recorded for this molecule.
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])n1cncc2ncnc1-2
- Isomeric SMILES
- C1=C2C(=NC=N2)N(C=N1)[N+](=O)[O-]
- InChI
- InChI=1S/C5H3N5O2/c11-10(12)9-3-6-1-4-5(9)8-2-7-4/h1-3H
- InChIKey
- DBBRRAMZDXUIGK-UHFFFAOYSA-N
- PubChem CID
- 149999989
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3-nitropurine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-nitropurine; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.