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CAS 13616-38-1

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1-(2H-Tetrazol-5-yl)-2-propanone

Description:
1-(2H-Tetrazol-5-yl)-2-propanone, with the CAS number 13616-38-1, is a chemical compound characterized by the presence of a tetrazole ring, which is a five-membered aromatic heterocycle containing four nitrogen atoms and one carbon atom. This compound features a ketone functional group, specifically a propanone structure, which contributes to its reactivity and potential applications in organic synthesis. The tetrazole moiety is known for its stability and ability to form coordination complexes, making this compound of interest in medicinal chemistry and materials science. It may exhibit properties such as solubility in polar solvents and potential biological activity, although specific biological effects would depend on further studies. The presence of both the ketone and tetrazole functionalities suggests that it could participate in various chemical reactions, including nucleophilic substitutions and cycloadditions. Overall, 1-(2H-Tetrazol-5-yl)-2-propanone is a versatile compound with potential applications in pharmaceuticals and chemical research.
Formula:C4H6N4O
InChI:InChI=1S/C4H6N4O/c1-3(9)2-4-5-7-8-6-4/h2H2,1H3,(H,5,6,7,8)
InChI key:InChIKey=FJBVDSVGSWVSHR-UHFFFAOYSA-N
SMILES:C(C(C)=O)C=1NN=NN1
Synonyms:
  • 1-(1H-1,2,3,4-Tetrazol-5-yl)propan-2-one
  • 2-Propanone, 1-(1H-tetrazol-5-yl)-
  • 1-(2H-Tetrazol-5-yl)-2-propanone
  • 1-(2H-1,2,3,4-Tetrazol-5-yl)propan-2-one
  • 2-Propanone, 1-(2H-tetrazol-5-yl)-
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