5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid

C9H7N3O3 — CID 135478439

IUPAC5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1-c1ccccc1O
InChIInChI=1S/C9H7N3O3/c13-6-4-2-1-3-5(6)7-8(9(14)15)11-12-10-7/h1-4,13H,(H,14,15)(H,10,11,12)
InChIKeyIJHCHHLYTUHMCH-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.88
Rot. Bonds2

About 5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid

5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid (PubChem CID 135478439) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid
PubChem CID135478439
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1-c1ccccc1O
InChIInChI=1S/C9H7N3O3/c13-6-4-2-1-3-5(6)7-8(9(14)15)11-12-10-7/h1-4,13H,(H,14,15)(H,10,11,12)
InChIKeyIJHCHHLYTUHMCH-UHFFFAOYSA-N
XLogP0.88
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid?
The IUPAC name of 5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid (CID 135478439) is 5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid?
The canonical SMILES for 5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid is O=C(O)c1n[nH]nc1-c1ccccc1O.
What is the InChIKey of 5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid?
The InChIKey is IJHCHHLYTUHMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-6-4-2-1-3-5(6)7-8(9(14)15)11-12-10-7/h1-4,13H,(H,14,15)(H,10,11,12).
What are the key properties of 5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid?
5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid is sourced from PubChem (CID 135478439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).