Molecular properties
- Formula
- C6H6N4
- Molar mass
- 134.14 g·mol−1
- Exact mass
- 134.0592 Da
- 6
- PubChem CID
- 21579714
Molecule record
3-methylpurine
C6H6N4
134.14 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- SCHEMBL574806
Structure identifiers
- Canonical SMILES
- Cn1cncc2ncnc1-2
- Isomeric SMILES
- CN1C=NC=C2C1=NC=N2
- InChI
- InChI=1S/C6H6N4/c1-10-4-7-2-5-6(10)9-3-8-5/h2-4H,1H3
- InChIKey
- FAUCUWNCMBVOPX-UHFFFAOYSA-N
- PubChem CID
- 21579714
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-methylpurine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-methylpurine; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.