5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid

C11H11N3O3 — CID 105492249

IUPAC5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1-c1ccccc1O
InChIInChI=1S/C11H11N3O3/c1-2-7-10(11(16)17)12-13-14(7)8-5-3-4-6-9(8)15/h3-6,15H,2H2,1H3,(H,16,17)
InChIKeyAWPAEHVRTKDZMV-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.23
Rot. Bonds3

About 5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid

5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid (PubChem CID 105492249) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid
PubChem CID105492249
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1-c1ccccc1O
InChIInChI=1S/C11H11N3O3/c1-2-7-10(11(16)17)12-13-14(7)8-5-3-4-6-9(8)15/h3-6,15H,2H2,1H3,(H,16,17)
InChIKeyAWPAEHVRTKDZMV-UHFFFAOYSA-N
XLogP1.23
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 53335498
1-(2,3-difluorophenyl)-5-ethyltriazole-4-carboxylic acid
CID 61074868
5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82200987
1-(4-carboxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 56768611
2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol
CID 105472466
1-(2-ethylphenyl)-5-(thiophen-2-ylmethyl)triazole-4-carboxylic acid
CID 94940478
5-ethyl-1-(4-fluoro-2-iodophenyl)triazole-4-carboxylic acid
CID 79766165
5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid
CID 97036200
5-ethyl-1-(1-methylpyrazol-3-yl)triazole-4-carboxylic acid
CID 79778683
5-ethyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxylic acid
CID 43142098
1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one
CID 107431385
1-[4-(diethylamino)phenyl]-5-ethyltriazole-4-carboxylic acid
CID 82200975

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid (CID 105492249) is 5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid is CCc1c(C(=O)O)nnn1-c1ccccc1O.
What is the InChIKey of 5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid?
The InChIKey is AWPAEHVRTKDZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-2-7-10(11(16)17)12-13-14(7)8-5-3-4-6-9(8)15/h3-6,15H,2H2,1H3,(H,16,17).
What are the key properties of 5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid?
5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid is sourced from PubChem (CID 105492249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).