Methyl 5-bromo-4H-[1,2,4]triazole-3-carboxylate

• CAT Number: L040426
• CAS Number: 704911-47-7
• Molecular Formula: C4H4BrN3O2
• Molecular Weight: 206
• Purity: ≥95%
• IUPAC Name: methyl 5-bromo-1H-1,2,4-triazole-3-carboxylate
• InChI: InChI=1S/C4H4BrN3O2/c1-10-3(9)2-6-4(5)8-7-2/h1H3,(H,6,7,8)
• InChIKey: GRIBRWPXKUMRDX-UHFFFAOYSA-N
• SMILES: COC(=O)C1=NNC(=N1)Br

Methyl 5-bromo-4H-[1,2,4]triazole-3-carboxylate is an organic compound with the molecular formula C₅H₆BrN₄O₂. It features a triazole ring with a bromine substituent at the 5-position and a carboxylate group at the 3-position, esterified with a methyl group. This compound typically appears as a solid and is of interest in medicinal chemistry for its potential biological activities, including antifungal and antibacterial properties. Its unique structure makes it a valuable intermediate in the synthesis of various bioactive molecules.