5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid

C11H10N4O4 — CID 61405729

IUPAC5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid
SMILESO=C(Cn1cncn1)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C11H10N4O4/c16-7-1-2-9(8(3-7)11(18)19)14-10(17)4-15-6-12-5-13-15/h1-3,5-6,16H,4H2,(H,14,17)(H,18,19)
InChIKeyJFULXIXMORMHDU-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.32
Rot. Bonds4

About 5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid

5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid (PubChem CID 61405729) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is 5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid
PubChem CID61405729
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid
SMILESO=C(Cn1cncn1)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C11H10N4O4/c16-7-1-2-9(8(3-7)11(18)19)14-10(17)4-15-6-12-5-13-15/h1-3,5-6,16H,4H2,(H,14,17)(H,18,19)
InChIKeyJFULXIXMORMHDU-UHFFFAOYSA-N
XLogP0.32
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 61405860
3-[3-methyl-4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]phenyl]prop-2-enoic acid
CID 76907460
N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61129965
4-chloro-2-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28789404
5-[[2-(1,2,4-triazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474723
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 60803537
N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 64788698
N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 146122005
5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
CID 61405958
3-(2-chloro-4-methylphenyl)-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid
CID 175853367
N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103747510
N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103479652

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid (CID 61405729) is 5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid is O=C(Cn1cncn1)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid?
The InChIKey is JFULXIXMORMHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c16-7-1-2-9(8(3-7)11(18)19)14-10(17)4-15-6-12-5-13-15/h1-3,5-6,16H,4H2,(H,14,17)(H,18,19).
What are the key properties of 5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid?
5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid has a molecular weight of 262.23 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 61405729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).