CAS 676348-39-3

3-(3-Bromo-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.13,7]decane-1-carboxylic acid

Description:

3-(3-Bromo-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.13,7]decane-1-carboxylic acid is a complex organic compound characterized by its unique tricyclic structure and the presence of a brominated triazole moiety. The compound features a carboxylic acid functional group, which contributes to its acidity and potential reactivity in various chemical reactions. The tricyclic framework provides rigidity and can influence the compound's biological activity and solubility. The bromine atom in the triazole ring can enhance the compound's lipophilicity and may play a role in its interaction with biological targets. This substance may be of interest in medicinal chemistry and drug development due to its structural complexity and potential pharmacological properties. Its specific applications and behavior in biological systems would depend on further studies, including its synthesis, stability, and interactions with other molecules. As with many compounds of this nature, safety and handling precautions should be observed due to the presence of halogenated and potentially reactive functional groups.

Formula: C₁₃H₁₆BrN₃O₂

InChI: InChI=1S/C13H16BrN3O2/c14-11-15-7-17(16-11)13-4-8-1-9(5-13)3-12(2-8,6-13)10(18)19/h7-9H,1-6H2,(H,18,19)

InChI key: InChIKey=ODVKAFUIFXUNTK-UHFFFAOYSA-N

SMILES: C(O)(=O)C12CC3(CC(C1)CC(C3)C2)N4C=NC(Br)=N4

Synonyms:

• 3-(3-Bromo-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.13,7]decane-1-carboxylic acid
• Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-
• 3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid
• 3-(3-Bromo-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid

3-(3-Bromo-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid

CAS: 676348-39-3

Versatile small molecule scaffold

Formula: C₁₃H₁₆BrN₃O₂

Purity: Min. 95%

Molecular weight: 326.19 g/mol

Ref: 3D-BCB34839