5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid

C10H15N3O2 — CID 90351234

IUPAC5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c(CCC2CCCC2)n1
InChIInChI=1S/C10H15N3O2/c14-10(15)9-11-8(12-13-9)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,14,15)(H,11,12,13)
InChIKeyGRGARLDDJJJKDB-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.63
Rot. Bonds4

About 5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid

5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid (PubChem CID 90351234) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid
PubChem CID90351234
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c(CCC2CCCC2)n1
InChIInChI=1S/C10H15N3O2/c14-10(15)9-11-8(12-13-9)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,14,15)(H,11,12,13)
InChIKeyGRGARLDDJJJKDB-UHFFFAOYSA-N
XLogP1.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-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

Ethyl 5-(cyclohexylmethyl)-2H-1,2,4-triazole-3-carboxylate
CID 55184564
5-(Propan-2-YL)-4H-1,2,4-triazole-3-carboxylic acid
CID 55263665
Ethyl 3-(cyclopentylmethyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381601
Ethyl 3-(2-cyclopentylethyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381867
5-cyclopentyl-1H-1,2,4-triazole-3-carboxylic acid
CID 84033117
3-Isopentyl-1H-1,2,4-triazole-5-carboxylic acid
CID 90351230
3-(Cyclopentylmethyl)-1H-1,2,4-triazole-5-carboxylic acid
CID 90351231
3-(Cyclohexylmethyl)-1H-1,2,4-triazole-5-carboxylic acid
CID 90351232
3-[(Tetrahydro-2H-pyran-3-yl)methyl]-1H-1,2,4-triazole-5-carboxylic acid
CID 90351246
ethyl 5-(cycloheptylmethyl)-1H-1,2,4-triazole-3-carboxylate
CID 114458996
5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carbaldehyde
CID 146641262
5-(cyclobutylmethyl)-1H-1,2,4-triazole-3-carboxylic acid
CID 174774924

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid (CID 90351234) is 5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid is O=C(O)c1n[nH]c(CCC2CCCC2)n1.
What is the InChIKey of 5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid?
The InChIKey is GRGARLDDJJJKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10(15)9-11-8(12-13-9)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,14,15)(H,11,12,13).
What are the key properties of 5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid?
5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethyl)-1H-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 90351234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).