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CAS 116598-69-7

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(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)-ACETONITRILE

Description:
(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile, with CAS number 116598-69-7, is a chemical compound characterized by its unique bicyclic structure that incorporates both a triazole and an azepine ring. This compound features a tetrahydro configuration, indicating the presence of saturated carbon atoms within the rings, which contributes to its stability and potential biological activity. The acetonitrile functional group attached to the nitrogen-containing bicyclic structure suggests that it may exhibit polar characteristics, influencing its solubility and reactivity in various solvents. The presence of nitrogen atoms in the triazole and azepine rings may also impart specific pharmacological properties, making it of interest in medicinal chemistry. Additionally, the compound's structural complexity may allow for diverse interactions with biological targets, potentially leading to applications in drug development. Overall, this compound exemplifies the intricate relationship between molecular structure and chemical behavior, highlighting its relevance in both synthetic and applied chemistry contexts.
Formula:C9H12N4
InChI:InChI=1/C9H12N4/c10-6-5-9-12-11-8-4-2-1-3-7-13(8)9/h1-5,7H2
SMILES:C1CCc2nnc(CC#N)n2CC1
Synonyms:
  • 5H-1,2,4-Triazolo[4,3-a]azepine-3-acetonitrile, 6,7,8,9-tetrahydro-
  • 6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylacetonitrile
  • (6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
  • (6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-acetonitrile
  • 2-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
  • 6,7,8,9-Tetrahydro-5H-[1,2,4]-triazolo[4,3-a]azepine-3-acetonitrile
  • (6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-acetonitrile - [T90225]
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