1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid

C8H11N3O2S — CID 82236632

IUPAC1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Sc2ncn[nH]2)CCCC1
InChIInChI=1S/C8H11N3O2S/c12-6(13)8(3-1-2-4-8)14-7-9-5-10-11-7/h5H,1-4H2,(H,12,13)(H,9,10,11)
InChIKeyUWEZTVVBQMGULD-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.29
Rot. Bonds3

About 1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid

1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid (PubChem CID 82236632) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid
PubChem CID82236632
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Sc2ncn[nH]2)CCCC1
InChIInChI=1S/C8H11N3O2S/c12-6(13)8(3-1-2-4-8)14-7-9-5-10-11-7/h5H,1-4H2,(H,12,13)(H,9,10,11)
InChIKeyUWEZTVVBQMGULD-UHFFFAOYSA-N
XLogP1.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1H-1,2,4-triazol-5-ylsulfanyl)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 1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid (CID 82236632) is 1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid is O=C(O)C1(Sc2ncn[nH]2)CCCC1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid?
The InChIKey is UWEZTVVBQMGULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-6(13)8(3-1-2-4-8)14-7-9-5-10-11-7/h5H,1-4H2,(H,12,13)(H,9,10,11).
What are the key properties of 1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid?
1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82236632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).