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

C14H17N3O3 — CID 82200987

IUPAC5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
SMILESCCCOc1ccccc1-n1nnc(C(=O)O)c1CC
InChIInChI=1S/C14H17N3O3/c1-3-9-20-12-8-6-5-7-11(12)17-10(4-2)13(14(18)19)15-16-17/h5-8H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyFMCPCBYPWTYVPH-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.32
Rot. Bonds6

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

5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid (PubChem CID 82200987) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
PubChem CID82200987
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
SMILESCCCOc1ccccc1-n1nnc(C(=O)O)c1CC
InChIInChI=1S/C14H17N3O3/c1-3-9-20-12-8-6-5-7-11(12)17-10(4-2)13(14(18)19)15-16-17/h5-8H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyFMCPCBYPWTYVPH-UHFFFAOYSA-N
XLogP2.32
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-1-(2-propoxyphenyl)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

1-(2-ethoxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 53335498
5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82201144
5-ethyl-1-(2-hydroxyphenyl)triazole-4-carboxylic acid
CID 105492249
propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate
CID 82199508
1-(2,3-difluorophenyl)-5-ethyltriazole-4-carboxylic acid
CID 61074868
5-ethyl-1-[2-(2-fluorophenoxy)ethyl]triazole-4-carboxylic acid
CID 62059638
5-ethyl-1-(2-propoxyphenyl)tetrazole
CID 23118004
5-cyclobutyl-1-(2-ethoxyphenyl)triazole-4-carboxylic acid
CID 82201408
5-ethyl-1-(4-fluoro-2-iodophenyl)triazole-4-carboxylic acid
CID 79766165
[5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine
CID 82199485
2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366637
5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid
CID 97036200

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid (CID 82200987) is 5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid is CCCOc1ccccc1-n1nnc(C(=O)O)c1CC.
What is the InChIKey of 5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid?
The InChIKey is FMCPCBYPWTYVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-9-20-12-8-6-5-7-11(12)17-10(4-2)13(14(18)19)15-16-17/h5-8H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid?
5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid is sourced from PubChem (CID 82200987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).