2-(4-methoxyphenyl)triazole-4-carboxylic acid

C10H9N3O3 — CID 78925514

IUPAC2-(4-methoxyphenyl)triazole-4-carboxylic acid
SMILESCOc1ccc(-n2ncc(C(=O)O)n2)cc1
InChIInChI=1S/C10H9N3O3/c1-16-8-4-2-7(3-5-8)13-11-6-9(12-13)10(14)15/h2-6H,1H3,(H,14,15)
InChIKeyCWPJPZMVGXRTBF-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.97
Rot. Bonds3

About 2-(4-methoxyphenyl)triazole-4-carboxylic acid

2-(4-methoxyphenyl)triazole-4-carboxylic acid (PubChem CID 78925514) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)triazole-4-carboxylic acid
PubChem CID78925514
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-(4-methoxyphenyl)triazole-4-carboxylic acid
SMILESCOc1ccc(-n2ncc(C(=O)O)n2)cc1
InChIInChI=1S/C10H9N3O3/c1-16-8-4-2-7(3-5-8)13-11-6-9(12-13)10(14)15/h2-6H,1H3,(H,14,15)
InChIKeyCWPJPZMVGXRTBF-UHFFFAOYSA-N
XLogP0.97
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 9400525
(4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone
CID 51324265
ethyl 2-(4-fluorophenyl)triazole-4-carboxylate;2-(4-fluorophenyl)triazole-4-carboxylic acid
CID 175783464
(2-methoxyphenyl)-(2-phenyltriazol-4-yl)methanone
CID 105079964
[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 97063463
1-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 10513054
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide
CID 51207681
2-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]triazole-4-carboxamide
CID 71856711
N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
5-amino-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817614
4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117233112
[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 154576711

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)triazole-4-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)triazole-4-carboxylic acid (CID 78925514) is 2-(4-methoxyphenyl)triazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)triazole-4-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)triazole-4-carboxylic acid is COc1ccc(-n2ncc(C(=O)O)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)triazole-4-carboxylic acid?
The InChIKey is CWPJPZMVGXRTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-16-8-4-2-7(3-5-8)13-11-6-9(12-13)10(14)15/h2-6H,1H3,(H,14,15).
What are the key properties of 2-(4-methoxyphenyl)triazole-4-carboxylic acid?
2-(4-methoxyphenyl)triazole-4-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)triazole-4-carboxylic acid is sourced from PubChem (CID 78925514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).