5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid

C13H15N3O3 — CID 97036200

IUPAC5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1-c1ccc(OC)cc1C
InChIInChI=1S/C13H15N3O3/c1-4-10-12(13(17)18)14-15-16(10)11-6-5-9(19-3)7-8(11)2/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyWVUZKRAVRHJMOG-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.84
Rot. Bonds4

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

5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid (PubChem CID 97036200) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid
PubChem CID97036200
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1-c1ccc(OC)cc1C
InChIInChI=1S/C13H15N3O3/c1-4-10-12(13(17)18)14-15-16(10)11-6-5-9(19-3)7-8(11)2/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyWVUZKRAVRHJMOG-UHFFFAOYSA-N
XLogP1.84
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid
CID 105492249
5-ethyl-1-(4-fluoro-2-iodophenyl)triazole-4-carboxylic acid
CID 79766165
5-ethyl-1-(2-methoxy-5-nitrophenyl)triazole-4-carboxylic acid
CID 43381116
5-benzyl-1-(2,4-dimethylphenyl)triazole-4-carboxylic acid
CID 94940495
5-ethyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxylic acid
CID 43142098
1-(2-ethoxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 53335498
1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxylic acid
CID 43328693
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one
CID 107431322
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
5-ethyl-1-(4-methoxy-3-nitrophenyl)triazole-4-carboxylic acid
CID 82200978

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid (CID 97036200) is 5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid is CCc1c(C(=O)O)nnn1-c1ccc(OC)cc1C.
What is the InChIKey of 5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid?
The InChIKey is WVUZKRAVRHJMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-4-10-12(13(17)18)14-15-16(10)11-6-5-9(19-3)7-8(11)2/h5-7H,4H2,1-3H3,(H,17,18).
What are the key properties of 5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid?
5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid is sourced from PubChem (CID 97036200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).