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CAS 112809-25-3

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4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile

Description:
4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile, with the CAS number 112809-25-3, is an organic compound characterized by its triazole and nitrile functional groups. This compound features a benzene ring substituted with a benzonitrile group and a triazole moiety, which contributes to its potential biological activity. The presence of the triazole ring suggests that it may exhibit properties such as antifungal or antimicrobial activity, as triazoles are known for their role in various pharmaceutical applications. The nitrile group can enhance the compound's polarity and solubility in organic solvents, making it suitable for various chemical reactions and applications in medicinal chemistry. Additionally, the compound's structure may allow for interactions with biological targets, making it of interest in drug discovery and development. Its synthesis typically involves multi-step organic reactions, and it may be characterized by techniques such as NMR spectroscopy, mass spectrometry, and infrared spectroscopy to confirm its identity and purity.
Formula:C10H8N4
InChI:InChI=1S/C10H8N4/c11-5-9-1-3-10(4-2-9)6-14-8-12-7-13-14/h1-4,7-8H,6H2
InChI key:InChIKey=HQLYWHSJALKYOV-UHFFFAOYSA-N
SMILES:C(C1=CC=C(C#N)C=C1)N2C=NC=N2
Synonyms:
  • 1-(4-Cyanobenzyl)-1,2,4-triazole
  • 4-(1H-1,2,4-Triazol-1-Ylmethyl)-Benzonitrile
  • 4-2[1-(1,2,4-Triazol-1-yl)methyl]benzonitrile
  • 4-[(1,2,4-Triazol-1-yl)methyl]benzonitrile
  • 4-[(1H-1,2,4-Triazol-1-yl)methyl]benzonitrile
  • 4-[1-(1,2,4-Triazolyl)-Methyl]-Benzonitrile
  • 4-[1-(1,2,4-Triazolyl)methyl]-benzontrile
  • Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl)-
  • Letrozole Intermediate
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