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CAS 1050441-89-8

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2,4-Dihydro-5-(hydroxymethyl)-4-(1-methylethyl)-2-[4-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one

Description:
2,4-Dihydro-5-(hydroxymethyl)-4-(1-methylethyl)-2-[4-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one is a chemical compound characterized by its complex triazole structure, which includes a hydroxymethyl group and a trifluoromethyl-substituted phenyl group. This compound typically exhibits properties associated with triazoles, such as potential antifungal or herbicidal activity, making it of interest in agricultural and pharmaceutical applications. The presence of the trifluoromethyl group often enhances lipophilicity and biological activity, while the hydroxymethyl group can influence solubility and reactivity. The compound's molecular structure suggests it may participate in hydrogen bonding due to the hydroxymethyl group, which can affect its interactions with biological targets. Additionally, the isopropyl group contributes to steric hindrance, potentially influencing its binding affinity and selectivity. Overall, this compound's unique combination of functional groups and structural features positions it as a candidate for further research in various chemical and biological contexts.
Formula:C13H14F3N3O2
InChI:InChI=1S/C13H14F3N3O2/c1-8(2)18-11(7-20)17-19(12(18)21)10-5-3-9(4-6-10)13(14,15)16/h3-6,8,20H,7H2,1-2H3
InChI key:InChIKey=ICCFUOSKIQIYHN-UHFFFAOYSA-N
SMILES:O=C1N(N=C(CO)N1C(C)C)C2=CC=C(C(F)(F)F)C=C2
Synonyms:
  • 2,4-Dihydro-5-(hydroxymethyl)-4-(1-methylethyl)-2-[4-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one
  • 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(hydroxymethyl)-4-(1-methylethyl)-2-[4-(trifluoromethyl)phenyl]-
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