5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid

C14H17N3O2 — CID 43652368

IUPAC5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid
SMILESCCCc1ccc(-n2nc(C(=O)O)nc2CC)cc1
InChIInChI=1S/C14H17N3O2/c1-3-5-10-6-8-11(9-7-10)17-12(4-2)15-13(16-17)14(18)19/h6-9H,3-5H2,1-2H3,(H,18,19)
InChIKeyWWECSHADPBZFFX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.48
Rot. Bonds5

About 5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid

5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid (PubChem CID 43652368) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid
PubChem CID43652368
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid
SMILESCCCc1ccc(-n2nc(C(=O)O)nc2CC)cc1
InChIInChI=1S/C14H17N3O2/c1-3-5-10-6-8-11(9-7-10)17-12(4-2)15-13(16-17)14(18)19/h6-9H,3-5H2,1-2H3,(H,18,19)
InChIKeyWWECSHADPBZFFX-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-propyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 43652369
1-(4-butylphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid
CID 43652668
5-ethyl-1-(4-ethylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 43652420
1-(4-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 43652436
1-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid
CID 43652311
5-cyclopropyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 43652371
1-(6-bromonaphthalen-2-yl)-5-ethyl-1,2,4-triazole-3-carboxylic acid
CID 81267147
5-amino-1-(4-ethylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817597
5-ethyl-1-(3-iodophenyl)-1,2,4-triazole-3-carboxylic acid
CID 43652557
1-(4-fluoro-3-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 62812225
1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid
CID 43652653
N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 120886952

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid (CID 43652368) is 5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid is CCCc1ccc(-n2nc(C(=O)O)nc2CC)cc1.
What is the InChIKey of 5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid?
The InChIKey is WWECSHADPBZFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-5-10-6-8-11(9-7-10)17-12(4-2)15-13(16-17)14(18)19/h6-9H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid?
5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 43652368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).