4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid

C13H15N3O2S — CID 114392973

IUPAC4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2nc(-c3cccs3)n[nH]2)C1
InChIInChI=1S/C13H15N3O2S/c1-7-5-8(9(6-7)13(17)18)11-14-12(16-15-11)10-3-2-4-19-10/h2-4,7-9H,5-6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyOEZIUEBATCFHHE-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.75
Rot. Bonds3

About 4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid

4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid (PubChem CID 114392973) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
PubChem CID114392973
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2nc(-c3cccs3)n[nH]2)C1
InChIInChI=1S/C13H15N3O2S/c1-7-5-8(9(6-7)13(17)18)11-14-12(16-15-11)10-3-2-4-19-10/h2-4,7-9H,5-6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyOEZIUEBATCFHHE-UHFFFAOYSA-N
XLogP2.75
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid (CID 114392973) is 4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(c2nc(-c3cccs3)n[nH]2)C1.
What is the InChIKey of 4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
The InChIKey is OEZIUEBATCFHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-7-5-8(9(6-7)13(17)18)11-14-12(16-15-11)10-3-2-4-19-10/h2-4,7-9H,5-6H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114392973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).