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CAS 167626-50-8

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Methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)benzoate

Description:
Methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)benzoate, with the CAS number 167626-50-8, is a chemical compound that features a benzoate structure substituted with an amino group and a triazole moiety. This compound is characterized by its aromatic ring, which contributes to its stability and potential reactivity. The presence of the amino group indicates that it can participate in hydrogen bonding, making it potentially useful in various biological applications, such as pharmaceuticals. The triazole ring is known for its role in medicinal chemistry, often exhibiting antifungal and antibacterial properties. Methyl esters, like this compound, are typically more lipophilic, which can enhance their bioavailability. The compound's solubility, melting point, and other physical properties would depend on its specific molecular interactions and the presence of functional groups. Overall, Methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)benzoate is of interest in research and development, particularly in the fields of drug design and agrochemicals.
Formula:C10H10N4O2
InChI:InChI=1S/C10H10N4O2/c1-16-10(15)7-2-3-9(8(11)4-7)14-6-12-5-13-14/h2-6H,11H2,1H3
InChI key:InChIKey=HUAQXKUFBUHCCA-UHFFFAOYSA-N
SMILES:NC1=C(C=CC(C(OC)=O)=C1)N2C=NC=N2
Synonyms:
  • Benzoic acid, 3-amino-4-(1H-1,2,4-triazol-1-yl)-, methyl ester
  • Methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)benzoate
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