CAS 869709-85-3

2,4-Dihydro-5-[2-(1-piperidinyl)ethyl]-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione

Description:

2,4-Dihydro-5-[2-(1-piperidinyl)ethyl]-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, which contributes to its reactivity and potential biological activity. The compound also contains a piperidine moiety, which is a six-membered ring containing one nitrogen atom, enhancing its pharmacological properties. The presence of an allyl group (2-propen-1-yl) suggests potential for further chemical reactivity, making it of interest in medicinal chemistry. Its unique structure may confer specific interactions with biological targets, potentially leading to applications in pharmaceuticals or agrochemicals. As with many compounds of this nature, understanding its solubility, stability, and reactivity under various conditions is crucial for its practical applications. Safety and handling considerations should also be taken into account due to the presence of nitrogen and sulfur in its structure.

Formula: C₁₂H₂₀N₄S

InChI: InChI=1S/C12H20N4S/c1-2-7-16-11(13-14-12(16)17)6-10-15-8-4-3-5-9-15/h2H,1,3-10H2,(H,14,17)

InChI key: InChIKey=PURQARDDFGQWEB-UHFFFAOYSA-N

SMILES: C(CN1CCCCC1)C=2N(CC=C)C(=S)NN2

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-[2-(1-piperidinyl)ethyl]-4-(2-propenyl)-
• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-[2-(1-piperidinyl)ethyl]-4-(2-propen-1-yl)-
• 2,4-Dihydro-5-[2-(1-piperidinyl)ethyl]-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione