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CAS 1338800-82-0

:

3-(1-Cyano-1-methylethyl)-α,α-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)benzeneacetic acid

Description:
3-(1-Cyano-1-methylethyl)-α,α-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)benzeneacetic acid is a chemical compound characterized by its complex structure, which includes a benzeneacetic acid moiety substituted with a triazole group and a cyanoalkyl side chain. This compound is likely to exhibit properties typical of both acidic and basic functionalities due to the presence of the carboxylic acid group and the triazole ring, which can participate in hydrogen bonding and coordination with metal ions. Its molecular structure suggests potential applications in pharmaceuticals, particularly as a bioactive agent, given the presence of the triazole moiety, which is known for its antifungal and antimicrobial properties. The cyano group may also contribute to its reactivity and interaction with biological targets. Additionally, the compound's lipophilicity and solubility characteristics would depend on the balance of its hydrophilic and hydrophobic components, influencing its pharmacokinetic properties. Overall, this compound represents a unique combination of functional groups that may be explored for various chemical and biological applications.
Formula:C17H20N4O2
InChI:InChI=1S/C17H20N4O2/c1-16(2,9-18)13-5-12(8-21-11-19-10-20-21)6-14(7-13)17(3,4)15(22)23/h5-7,10-11H,8H2,1-4H3,(H,22,23)
InChI key:InChIKey=MVGZBWCFHURVNS-UHFFFAOYSA-N
SMILES:C(C(O)=O)(C)(C)C1=CC(C(C#N)(C)C)=CC(CN2C=NC=N2)=C1
Synonyms:
  • 2-(3-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2-cyanopropan-2-yl)phenyl)-2-methylpropanoic acid
  • 3-(1-Cyano-1-methylethyl)-α,α-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)benzeneacetic acid
  • Benzeneacetic acid, 3-(1-cyano-1-methylethyl)-α,α-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-
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