1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol

C8H13N3OS — CID 65212859

IUPAC1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol
SMILESOC1(CSc2ncn[nH]2)CCCC1
InChIInChI=1S/C8H13N3OS/c12-8(3-1-2-4-8)5-13-7-9-6-10-11-7/h6,12H,1-5H2,(H,9,10,11)
InChIKeyRBFRXBWFBGZDTF-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.20
Rot. Bonds3

About 1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol

1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol (PubChem CID 65212859) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol
PubChem CID65212859
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol
SMILESOC1(CSc2ncn[nH]2)CCCC1
InChIInChI=1S/C8H13N3OS/c12-8(3-1-2-4-8)5-13-7-9-6-10-11-7/h6,12H,1-5H2,(H,9,10,11)
InChIKeyRBFRXBWFBGZDTF-UHFFFAOYSA-N
XLogP1.20
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol 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-ylsulfanylmethyl)cyclopentan-1-ol?
The IUPAC name of 1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol (CID 65212859) is 1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol is OC1(CSc2ncn[nH]2)CCCC1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol?
The InChIKey is RBFRXBWFBGZDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c12-8(3-1-2-4-8)5-13-7-9-6-10-11-7/h6,12H,1-5H2,(H,9,10,11).
What are the key properties of 1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol?
1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)cyclopentan-1-ol has a molecular weight of 199.28 g/mol, XLogP of 1.20, 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-ylsulfanylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 65212859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).