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CAS 932-63-8

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1,2-Dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one

Description:
1,2-Dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one, with the CAS number 932-63-8, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance typically appears as a white to off-white crystalline solid and is soluble in polar organic solvents. It exhibits a range of biological activities, making it of interest in various fields, including pharmaceuticals and agrochemicals. The presence of the isopropyl group contributes to its lipophilicity, influencing its interaction with biological systems. Additionally, the compound may participate in hydrogen bonding due to the presence of the carbonyl group, which can affect its reactivity and stability. Its unique structure allows for potential applications in the synthesis of other chemical entities and as a building block in medicinal chemistry. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.
Formula:C5H9N3O
InChI:InChI=1S/C5H9N3O/c1-3(2)4-6-5(9)8-7-4/h3H,1-2H3,(H2,6,7,8,9)
InChI key:InChIKey=FXRNGWMBBYYQKS-UHFFFAOYSA-N
SMILES:C(C)(C)C=1NC(=O)NN1
Synonyms:
  • Δ2-1,2,4-Triazolin-5-one, 3-isopropyl-
  • 1,2-Dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one
  • 3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-(1-methylethyl)-
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