CAS 1423029-05-3

2-(6-Methyl-1,2,4-triazolo[4,3-b]pyridazin-3-yl)benzoic acid

Description:

2-(6-Methyl-1,2,4-triazolo[4,3-b]pyridazin-3-yl)benzoic acid is a chemical compound characterized by its unique structural features, which include a benzoic acid moiety and a triazolo-pyridazine ring system. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, such as stability and potential biological activity. The presence of the triazole and pyridazine rings suggests that it may engage in hydrogen bonding and π-π stacking interactions, which can influence its solubility and reactivity. The methyl group on the triazole ring can affect the compound's electronic properties and steric hindrance, potentially impacting its interactions with biological targets. As a benzoic acid derivative, it may also exhibit acidic properties, allowing it to participate in various chemical reactions, including esterification and amidation. Overall, this compound's unique structure may confer specific pharmacological properties, making it of interest in medicinal chemistry and drug development.

Formula: C₁₃H₁₀N₄O₂

InChI: InChI=1S/C13H10N4O2/c1-8-6-7-11-14-15-12(17(11)16-8)9-4-2-3-5-10(9)13(18)19/h2-7H,1H3,(H,18,19)

InChI key: InChIKey=QGYUXXOSMKAFKY-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C=2N3C(=NN2)C=CC(C)=N3)C=CC=C1

Synonyms:

• 2-(6-Methyl-1,2,4-triazolo[4,3-b]pyridazin-3-yl)benzoic acid
• Benzoic acid, 2-(6-methyl-1,2,4-triazolo[4,3-b]pyridazin-3-yl)-

2-{6-Methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}benzoic acid

CAS: 1423029-05-3

Versatile small molecule scaffold

Formula: C₁₃H₁₀N₄O₂

Purity: Min. 95%

Molecular weight: 254.24 g/mol

Ref: 3D-YGC02905