Description

2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one (CAS No. 135302-13-5) is a high-purity heterocyclic compound with the molecular formula C₄H₇N₃O₂. This specialized chemical, also known by its IUPAC name 3-methoxy-4-methyl-1H-1,2,4-triazol-5-one, is a valuable building block in organic synthesis and pharmaceutical research. The compound features a 1,2,4-triazole core structure with methoxy and methyl substituents, offering unique reactivity for heterocyclic chemistry applications.

Our product is rigorously tested to ensure >98% purity (HPLC) and is supplied as a stable, crystalline solid. It is ideal for researchers developing novel agrochemicals, pharmaceuticals, or coordination complexes. The compound is packaged under inert gas in amber glass vials to ensure long-term stability and is available in quantities from 100mg to 10g for research-scale applications.

Properties

• CAS Number: 135302-13-5
• Complexity: 165
• IUPAC Name: 3-methoxy-4-methyl-1H-1,2,4-triazol-5-one
• InChI: InChI=1S/C4H7N3O2/c1-7-3(8)5-6-4(7)9-2/h1-2H3,(H,5,8)
• InChI Key: AMHDHUVBOKXALL-UHFFFAOYSA-N
• Exact Mass: 129.053826475
• Molecular Formula: C4H7N3O2
• Molecular Weight: 129.12
• SMILES: CN1C(=O)NN=C1OC
• Topological: 53.9
• Monoisotopic Mass: 129.053826475
• Synonyms: 3-Methoxy-4-methyl-1H-1,2,4-triazol-5(4H)-one, 2,4-DIHYDRO-5-METHOXY-4-METHYL-3H-1,2,4-TRIAZOL-3-ONE, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methoxy-4-methyl-, 5-methoxy-4-methyl-2,4-dihydro-3h-1,2,4-triazol-3-one, V5K67KQA5M, DTXSID60888962, EC 619-590-1, DTXCID101028232, 619-590-1, 135302-13-5, 3-methoxy-4-methyl-1H-1,2,4-triazol-5-one, 2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one; 3-Methoxy-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one; 5-Methoxy-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one;, MFCD09744038, thiencarbazone-methyl TP2, UNII-V5K67KQA5M, SCHEMBL3254653, SCHEMBL22221955, 3-methoxy-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one, AKOS015998937, AS-19534, CS-0151209, NS00009529, D70633, EN300-176710, 5-methoxy-4-methyl-2,4-dihydro-1,2,4-triazol-3-one, Z1255450941, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methoxy-4-methyl-; 2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one; 5-Methoxy-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

Application

This 1,2,4-triazole derivative serves as a versatile intermediate in medicinal chemistry for the development of bioactive molecules. Researchers utilize it in the synthesis of potential antifungal and antibacterial agents due to the privileged 1,2,4-triazole pharmacophore. The compound’s structure makes it particularly valuable for creating heterocyclic scaffolds in drug discovery programs. It also finds use in materials science as a ligand for metal coordination complexes.

Safety and Hazards

GHS Hazard Statements

• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Precautionary Statements

• P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (50%)
• Skin Sens. 1 (100%)
• Eye Irrit. 2A (50%)
• STOT SE 3 (50%)

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