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CAS 1020719-21-4

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2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl-2,2,3,3,3-d<sub>5</sub>)-3H-1,2,4-triazol-3-one

Description:
2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl-2,2,3,3,3-d5)-3H-1,2,4-triazol-3-one is a complex organic compound characterized by its multi-ring structure and the presence of various functional groups. This substance features a triazole ring, which is known for its role in biological activity and potential pharmacological applications. The presence of a piperazine moiety suggests possible interactions with neurotransmitter receptors, making it of interest in medicinal chemistry. Additionally, the hydroxyphenyl group may contribute to its solubility and reactivity, while the deuterated isopropyl group can influence its metabolic stability and isotopic labeling in studies. The compound's molecular structure indicates potential for diverse biological activities, including anti-inflammatory or neuroactive properties. Its specific characteristics, such as solubility, stability, and reactivity, would depend on the surrounding conditions and the presence of other chemical species. Overall, this compound represents a significant area of interest for research in drug development and chemical biology.
Formula:C22H22D5N5O2
InChI:InChI=1S/C22H27N5O2/c1-3-17(2)27-22(29)26(16-23-27)20-6-4-18(5-7-20)24-12-14-25(15-13-24)19-8-10-21(28)11-9-19/h4-11,16-17,28H,3,12-15H2,1-2H3/i1D3,3D2
InChI key:InChIKey=FFAQILVGBAELHN-WNWXXORZSA-N
SMILES:O=C1N(C=NN1C(C(C([2H])([2H])[2H])([2H])[2H])C)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(O)C=C4
Synonyms:
  • 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl-2,2,3,3,3-d5)-
  • 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl-2,2,3,3,3-d5)-3H-1,2,4-triazol-3-one
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