1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid

C11H11N3O3 — CID 71563706

IUPAC1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
SMILESCOc1ccccc1-n1nc(C(=O)O)nc1C
InChIInChI=1S/C11H11N3O3/c1-7-12-10(11(15)16)13-14(7)8-5-3-4-6-9(8)17-2/h3-6H,1-2H3,(H,15,16)
InChIKeyABNCDINFLMHGHN-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.28
Rot. Bonds3

About 1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid

1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid (PubChem CID 71563706) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
PubChem CID71563706
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
SMILESCOc1ccccc1-n1nc(C(=O)O)nc1C
InChIInChI=1S/C11H11N3O3/c1-7-12-10(11(15)16)13-14(7)8-5-3-4-6-9(8)17-2/h3-6H,1-2H3,(H,15,16)
InChIKeyABNCDINFLMHGHN-UHFFFAOYSA-N
XLogP1.28
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 43652213
1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid
CID 46708109
1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 82072143
5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 63033151
1-(2-bromo-5-methylphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 82766112
1-(5-bromo-2-methylphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 43806727
1-(2-methoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361800
1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419537
1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
CID 82361926
5-tert-butyl-4-chloro-1-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 63033848
1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 175940957
1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid
CID 56768648

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid (CID 71563706) is 1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid is COc1ccccc1-n1nc(C(=O)O)nc1C.
What is the InChIKey of 1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid?
The InChIKey is ABNCDINFLMHGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-7-12-10(11(15)16)13-14(7)8-5-3-4-6-9(8)17-2/h3-6H,1-2H3,(H,15,16).
What are the key properties of 1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid?
1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 71563706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).