Description

7-Oxo-7,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6-carboxylic acid (CAS No. 57351-80-1) is a high-purity heterocyclic compound with the molecular formula C₅H₃N₅O₃. This specialized chemical features a fused triazolotriazine core with a carboxylic acid functional group, making it a valuable intermediate for pharmaceutical and agrochemical research. The compound’s unique structure offers potential as a building block for novel bioactive molecules, particularly in the development of enzyme inhibitors or antimicrobial agents. Our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied as a stable, off-white to light yellow crystalline powder. Suitable for medicinal chemistry, combinatorial libraries, and structure-activity relationship studies. Store in a cool, dry place at 2-8°C under inert atmosphere.

Properties

• CAS Number: 57351-80-1
• Complexity: 301
• IUPAC Name: 7-oxo-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6-carboxylic acid
• InChI: InChI=1S/C5H3N5O3/c11-3-2(4(12)13)9-10-1-6-8-5(10)7-3/h1H,(H,12,13)(H,7,8,11)
• InChI Key: UVULIPRSXVHSNZ-UHFFFAOYSA-N
• Exact Mass: 181.02358897
• Molecular Formula: C5H3N5O3
• Molecular Weight: 181.11
• SMILES: C1=NN=C2N1N=C(C(=O)N2)C(=O)O
• Topological: 109
• Monoisotopic Mass: 181.02358897
• Synonyms: 7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6-carboxylic acid, 57351-80-1, 7-Oxo-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6-carboxylic acid, C5H3N5O3, AKOS032961174, DB-229649, 7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6-carboxylic acid

Application

This triazolotriazine derivative serves as a key scaffold in medicinal chemistry for designing kinase inhibitors and antimicrobial compounds. Researchers utilize it as a precursor for synthesizing fused heterocyclic systems with potential CNS activity. The carboxylic acid moiety allows straightforward derivatization via amide coupling or esterification reactions. It has shown promise in early-stage drug discovery programs targeting infectious diseases.

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