Molecular properties
- Formula
- C17H11N5
- Molar mass
- 285.31 g·mol−1
- Exact mass
- 285.1014 Da
- 15
- PubChem CID
- 3902
Molecule record
4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile
C17H11N5
285.31 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 112809-51-5
- 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile
- 4,4'-(1H-1,2,4-triazol-1-yl-methylene)-bis(benzonitrile)
- 4,4'-(1H-1,2,4triazol-1-ylmethylene)dibenzonitrile
- 4-[(4-CYANOPHENYL)(1H-1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE
- 675-034-8
- 7LKK855W8I
- Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-
Show all 24 synonyms
- C17H11N5
- CGS 20267
- CGS20267
- CHEBI:6413
- DTXCID503202
- DTXSID4023202
- Femara
- KISQALI FEMARA CO-PACK COMPONENT LETROZOLE
- L02BG04
- Letrozol
- Letrozole Tablets
- NSC-759652
- NSC719345
- RefChem:55460
- letrozole
- letrozolum
Structure identifiers
- Canonical SMILES
- N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1
- Isomeric SMILES
- C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3
- InChI
- InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
- InChIKey
- HPJKCIUCZWXJDR-UHFFFAOYSA-N
- PubChem CID
- 3902
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 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.