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

C10H9N3O2 — CID 50919351

IUPAC5-(2-methylphenyl)-2H-triazole-4-carboxylic acid
SMILESCc1ccccc1-c1n[nH]nc1C(=O)O
InChIInChI=1S/C10H9N3O2/c1-6-4-2-3-5-7(6)8-9(10(14)15)12-13-11-8/h2-5H,1H3,(H,14,15)(H,11,12,13)
InChIKeyRRYVGFUGQBVHGA-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.48
Rot. Bonds2

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

5-(2-methylphenyl)-2H-triazole-4-carboxylic acid (PubChem CID 50919351) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-(2-methylphenyl)-2H-triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylphenyl)-2H-triazole-4-carboxylic acid
PubChem CID50919351
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name5-(2-methylphenyl)-2H-triazole-4-carboxylic acid
SMILESCc1ccccc1-c1n[nH]nc1C(=O)O
InChIInChI=1S/C10H9N3O2/c1-6-4-2-3-5-7(6)8-9(10(14)15)12-13-11-8/h2-5H,1H3,(H,14,15)(H,11,12,13)
InChIKeyRRYVGFUGQBVHGA-UHFFFAOYSA-N
XLogP1.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-2H-triazole-4-carboxylic acid?
The IUPAC name of 5-(2-methylphenyl)-2H-triazole-4-carboxylic acid (CID 50919351) is 5-(2-methylphenyl)-2H-triazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methylphenyl)-2H-triazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methylphenyl)-2H-triazole-4-carboxylic acid is Cc1ccccc1-c1n[nH]nc1C(=O)O.
What is the InChIKey of 5-(2-methylphenyl)-2H-triazole-4-carboxylic acid?
The InChIKey is RRYVGFUGQBVHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-6-4-2-3-5-7(6)8-9(10(14)15)12-13-11-8/h2-5H,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 5-(2-methylphenyl)-2H-triazole-4-carboxylic acid?
5-(2-methylphenyl)-2H-triazole-4-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-2H-triazole-4-carboxylic acid is sourced from PubChem (CID 50919351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).