UJK

1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid

Created:	2021-02-24
Last modified:	2021-09-08

Find Related PDB Entry
2 entries where UJK is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	11

2D diagram of UJK

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid
Formula	C₁₀ H₉ N₃ O₂
Molecular Weight	203.197
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccccc1n2cc(nn2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccccc1n2cc(nn2)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1ccccc1n2cc(nn2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccccc1n2cc(nn2)C(=O)O
InChI	InChI	1.03	InChI=1S/C10H9N3O2/c1-7-4-2-3-5-9(7)13-6-8(10(14)15)11-12-13/h2-6H,1H3,(H,14,15)
InChIKey	InChI	1.03	DAYJQFRBEKQYDR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	43363487

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.