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

C10H9N3O2 — CID 43363487

IUPAC1-(2-methylphenyl)triazole-4-carboxylic acid
SMILESCc1ccccc1-n1cc(C(=O)O)nn1
InChIInChI=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)
InChIKeyDAYJQFRBEKQYDR-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.27
Rot. Bonds2

About 1-(2-methylphenyl)triazole-4-carboxylic acid

1-(2-methylphenyl)triazole-4-carboxylic acid (PubChem CID 43363487) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-(2-methylphenyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylphenyl)triazole-4-carboxylic acid
PubChem CID43363487
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name1-(2-methylphenyl)triazole-4-carboxylic acid
SMILESCc1ccccc1-n1cc(C(=O)O)nn1
InChIInChI=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)
InChIKeyDAYJQFRBEKQYDR-UHFFFAOYSA-N
XLogP1.27
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)triazole-4-carboxylic acid?
The IUPAC name of 1-(2-methylphenyl)triazole-4-carboxylic acid (CID 43363487) is 1-(2-methylphenyl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylphenyl)triazole-4-carboxylic acid?
The canonical SMILES for 1-(2-methylphenyl)triazole-4-carboxylic acid is Cc1ccccc1-n1cc(C(=O)O)nn1.
What is the InChIKey of 1-(2-methylphenyl)triazole-4-carboxylic acid?
The InChIKey is DAYJQFRBEKQYDR-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 1-(2-methylphenyl)triazole-4-carboxylic acid?
1-(2-methylphenyl)triazole-4-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)triazole-4-carboxylic acid is sourced from PubChem (CID 43363487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).