CAS 1306604-91-0

5-Methyl-1-[1,2,3,4-tetrahydro-2-(methylsulfonyl)-5-isoquinolinyl]-1H-1,2,3-triazole-4-carboxylic acid

Description:

5-Methyl-1-[1,2,3,4-tetrahydro-2-(methylsulfonyl)-5-isoquinolinyl]-1H-1,2,3-triazole-4-carboxylic acid is a complex organic compound characterized by its unique structural features, including a triazole ring and an isoquinoline moiety. The presence of a methylsulfonyl group enhances its solubility and may influence its biological activity. This compound is likely to exhibit a range of chemical properties, such as moderate polarity due to the carboxylic acid and sulfonyl functional groups, which can participate in hydrogen bonding. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as compounds with triazole and isoquinoline structures are often associated with various biological activities. Additionally, the presence of the carboxylic acid group may contribute to its reactivity and interaction with biological targets. Overall, this compound represents a significant interest in research fields focused on drug discovery and development, although specific biological activities and applications would require further investigation.

Formula: C₁₄H₁₆N₄O₄S

InChI: InChI=1S/C14H16N4O4S/c1-9-13(14(19)20)15-16-18(9)12-5-3-4-10-8-17(23(2,21)22)7-6-11(10)12/h3-5H,6-8H2,1-2H3,(H,19,20)

InChI key: InChIKey=OUROTHUIYNHBHI-UHFFFAOYSA-N

SMILES: CC=1N(C2=C3C(CN(S(C)(=O)=O)CC3)=CC=C2)N=NC1C(O)=O

Synonyms:

• 5-Methyl-1-[1,2,3,4-tetrahydro-2-(methylsulfonyl)-5-isoquinolinyl]-1H-1,2,3-triazole-4-carboxylic acid
• 1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-[1,2,3,4-tetrahydro-2-(methylsulfonyl)-5-isoquinolinyl]-

1-(2-Methanesulfonyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

CAS: 1306604-91-0

Versatile small molecule scaffold

Formula: C₁₄H₁₆N₄O₄S

Purity: Min. 95%

Molecular weight: 336.37 g/mol

Ref: 3D-GCC60491