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CAS 719274-84-7

:

4-[4-Methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]bicyclo[2.2.2]octane-1-carbonitrile

Description:
4-[4-Methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]bicyclo[2.2.2]octane-1-carbonitrile, with the CAS number 719274-84-7, is a synthetic organic compound characterized by its complex bicyclic structure and the presence of a triazole ring. This compound features a bicyclo[2.2.2]octane core, which contributes to its three-dimensional shape and potential steric effects. The triazole moiety, known for its biological activity, is substituted with a 4-methyl group and a phenyl group that carries a trifluoromethyl substituent, enhancing its lipophilicity and possibly its biological interactions. The carbonitrile functional group at the 1-position of the bicyclic system may impart additional reactivity and influence the compound's solubility and stability. Overall, this compound's unique structural features suggest potential applications in pharmaceuticals or agrochemicals, particularly in areas where triazole derivatives are known to exhibit fungicidal or herbicidal properties. Further studies would be necessary to elucidate its specific biological activities and potential uses.
Formula:C19H19F3N4
InChI:InChI=1S/C19H19F3N4/c1-26-15(13-4-2-3-5-14(13)19(20,21)22)24-25-16(26)18-9-6-17(12-23,7-10-18)8-11-18/h2-5H,6-11H2,1H3
InChI key:InChIKey=XPQXRUBWAXFEBJ-UHFFFAOYSA-N
SMILES:CN1C(C23CCC(C#N)(CC2)CC3)=NN=C1C4=C(C(F)(F)F)C=CC=C4
Synonyms:
  • 4-[4-Methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]bicyclo[2.2.2]octane-1-carbonitrile
  • Bicyclo[2.2.2]octane-1-carbonitrile, 4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]-
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