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CAS 1021869-28-2

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Methyl α-[(dimethylamino)methylene]-1H-1,2,3-triazole-1-acetate

Description:
Methyl α-[(dimethylamino)methylene]-1H-1,2,3-triazole-1-acetate is a chemical compound characterized by its unique triazole structure, which is a five-membered ring containing three nitrogen atoms. This compound features a methyl acetate group, contributing to its ester functionality, and a dimethylamino group that enhances its potential for biological activity. The presence of the triazole moiety suggests possible applications in pharmaceuticals, particularly in the development of antifungal or antimicrobial agents, as triazoles are known for their role in inhibiting the synthesis of ergosterol in fungi. The compound's molecular structure indicates it may exhibit polar characteristics due to the presence of nitrogen and oxygen atoms, influencing its solubility and reactivity. Additionally, the dimethylamino group can impart basic properties, potentially affecting its interaction with biological targets. Overall, this compound's unique structural features position it as a candidate for further research in medicinal chemistry and related fields.
Formula:C8H12N4O2
InChI:InChI=1S/C8H12N4O2/c1-11(2)6-7(8(13)14-3)12-5-4-9-10-12/h4-6H,1-3H3
InChI key:InChIKey=UVCNAVLTBHCWPP-UHFFFAOYSA-N
SMILES:C(C(OC)=O)(=CN(C)C)N1C=CN=N1
Synonyms:
  • 3-(Dimethylamino)-2-(1H-1,2,3-triazol-1-yl)acrylic acid methyl ester
  • 1H-1,2,3-Triazole-1-acetic acid, α-[(dimethylamino)methylene]-, methyl ester
  • Methyl α-[(dimethylamino)methylene]-1H-1,2,3-triazole-1-acetate
  • Methyl 3-(dimethylamino)-2-(1H-1,2,3-triazol-1-yl)acrylate
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