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Molecule record

quinazoline-4-carbonitrile

C9H5N3

155.16 g/mol

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Molecular properties

Formula
C9H5N3
Molar mass
155.16 g·mol−1
Exact mass
155.0483 Da
9
PubChem CID
593211

Functional groups

Aromatic ring
Nitrile

Physical properties

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

Common names and synonyms

  • 36082-71-0
  • 4-CYANOQUINAZOLINE
  • 4-Quinazolinecarbonitrile
  • 4-Quinazolinecarbonitrile #
  • AB60723
  • AKOS005166930
  • CS-0183230
  • DB-113412
Show all 16 synonyms
  • DTXCID40112156
  • DTXSID80189665
  • G81408
  • MFCD10697880
  • RefChem:912802
  • SCHEMBL1994622
  • SCHEMBL6180444
  • VBCVBVXRDBPFIL-UHFFFAOYSA-N

Structure identifiers

Canonical SMILES
N#Cc1ncnc2ccccc12
Isomeric SMILES
C1=CC=C2C(=C1)C(=NC=N2)C#N
InChI
InChI=1S/C9H5N3/c10-5-9-7-3-1-2-4-8(7)11-6-12-9/h1-4,6H
InChIKey
VBCVBVXRDBPFIL-UHFFFAOYSA-N
PubChem CID
593211

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 quinazoline-4-carbonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for quinazoline-4-carbonitrile; 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
quinazoline-4-carbonitrile - Formula, Structure | ChemArche