2-(2H-1,2,3-Triazol-2-YL)benzoic acid
CAS No.:
1001401-62-2
M. Wt:
189.17100
M. Fa:
C9H7N3O2
InChI Key:
UTENUPFWBIFKPW-UHFFFAOYSA-N
Appearance:
Pale-yellow Solid
Names and Identifiers of 2-(2H-1,2,3-Triazol-2-YL)benzoic acid
CAS Number |
1001401-62-2 |
|---|---|
MDL Number |
MFCD20486491 |
IUPAC Name |
2-(triazol-2-yl)benzoic acid |
InChI |
InChI=1S/C9H7N3O2/c13-9(14)7-3-1-2-4-8(7)12-10-5-6-11-12/h1-6H,(H,13,14) |
InChIKey |
UTENUPFWBIFKPW-UHFFFAOYSA-N |
Canonical SMILES |
C1=CC=C(C(=C1)C(=O)O)N2N=CC=N2 |
UNSPSC Code |
12352100 |
Physical and chemical properties of 2-(2H-1,2,3-Triazol-2-YL)benzoic acid
Exact Mass |
189.05400 |
|---|---|
LogP |
0.96550 |
Molecular Formula |
C9H7N3O2 |
Molecular Weight |
189.17100 |
PSA |
68.01000 |
Safety Information of 2-(2H-1,2,3-Triazol-2-YL)benzoic acid
Applications of 2-(2H-1,2,3-Triazol-2-YL)benzoic acid
The applications of 2-(2H-1,2,3-triazol-2-yl)benzoic acid are diverse:
- Pharmaceutical Development: Its derivatives are being investigated for their potential use in drug development due to their biological activities.
- Material Science: The unique properties of the triazole ring make it useful in developing new materials with specific functionalities.
Interaction Studies of 2-(2H-1,2,3-Triazol-2-YL)benzoic acid
Interaction studies involving 2-(2H-1,2,3-triazol-2-yl)benzoic acid have focused on its binding affinity to various biological targets. For instance:
- Receptor Binding Studies: Research indicates that certain derivatives exhibit selective binding to orexin receptors, suggesting potential therapeutic uses in sleep regulation and appetite control.
Biological Activity of 2-(2H-1,2,3-Triazol-2-YL)benzoic acid
Research has indicated that 2-(2H-1,2,3-triazol-2-yl)benzoic acid exhibits various biological activities, including:
- Antimicrobial Properties: Studies have shown that derivatives of this compound possess significant antimicrobial activity against various bacterial strains.
- Anti-inflammatory Effects: Some derivatives have demonstrated potential anti-inflammatory effects, making them candidates for further pharmacological studies.
- Orexin Receptor Antagonism: Certain derivatives are being explored as orexin receptor antagonists, which may have implications in treating sleep disorders and obesity.
Physical sample testing spectrum (NMR) of 2-(2H-1,2,3-Triazol-2-YL)benzoic acid
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