Description

4-Amino-2,4-dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one (CAS No. 96240-10-7) is a high-purity heterocyclic organic compound with the molecular formula C₅H₁₀N₄O. This specialized chemical features a 1,2,4-triazole core functionalized with an amino group and an isopropyl substituent, making it a valuable intermediate in pharmaceutical and agrochemical research. With an IUPAC name of 4-amino-3-propan-2-yl-1H-1,2,4-triazol-5-one, this compound is supplied as a crystalline solid with ≥95% purity (HPLC). Its unique structure offers versatile reactivity for nucleophilic substitutions and cyclization reactions. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability. This product is intended for research purposes only and is not for human or veterinary use.

Properties

• CAS Number: 96240-10-7
• Complexity: 186
• IUPAC Name: 4-amino-3-isopropyl-1H-1,2,4-triazol-5-one
• InChI: InChI=1S/C5H10N4O/c1-3(2)4-7-8-5(10)9(4)6/h3H,6H2,1-2H3,(H,8,10)
• InChI Key: JIXOMCFZRAAWKK-UHFFFAOYSA-N
• Exact Mass: 142.08546096
• Molecular Formula: C5H10N4O
• Molecular Weight: 142.16
• SMILES: CC(C)C1=NNC(=O)N1N
• Topological: 70.7
• Monoisotopic Mass: 142.08546096
• Synonyms: 96240-10-7, 4-Amino-2,4-dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one, EC 689-404-1, 689-404-1, 4-Amino-3-isopropyl-1H-1,2,4-triazol-5(4H)-one, 3-Isopropyl-4-amino-1,2,4-triazol-5-one, 4-amino-3-propan-2-yl-1H-1,2,4-triazol-5-one, 4-amino-5-isopropyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-amino-3-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one, MFCD04972517, 1-amino-4H-triazol-5-one, SCHEMBL3221455, DTXSID30446316, JIXOMCFZRAAWKK-UHFFFAOYSA-N, AKOS006293450, FA31099, AC-13171, AS-67012, DB-009199, CS-0235937, NS00002593, W18646, EN300-1655569, 4-Amino-5-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Application

This 1,2,4-triazole derivative serves as a key building block in medicinal chemistry for developing novel heterocyclic compounds with potential biological activity. Researchers utilize it as a precursor in the synthesis of antifungal and antibacterial agents due to the pharmacophoric 1,2,4-triazole moiety. The compound’s reactive amino group enables facile derivatization for structure-activity relationship studies. In material science, it finds application as a ligand for metal coordination complexes. Its isopropyl substituent provides steric influence valuable for studying molecular recognition processes.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 37 of 39 companies (only 5.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.