4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione

C10H15N3OS — CID 165462872

IUPAC4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione
SMILESS=c1[nH]nc(C2COC2)n1C1CCCC1
InChIInChI=1S/C10H15N3OS/c15-10-12-11-9(7-5-14-6-7)13(10)8-3-1-2-4-8/h7-8H,1-6H2,(H,12,15)
InChIKeyWIYJOWZMBTZMDX-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.17
Rot. Bonds2

About 4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione

4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 165462872) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione
PubChem CID165462872
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione
SMILESS=c1[nH]nc(C2COC2)n1C1CCCC1
InChIInChI=1S/C10H15N3OS/c15-10-12-11-9(7-5-14-6-7)13(10)8-3-1-2-4-8/h7-8H,1-6H2,(H,12,15)
InChIKeyWIYJOWZMBTZMDX-UHFFFAOYSA-N
XLogP2.17
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione (CID 165462872) is 4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione is S=c1[nH]nc(C2COC2)n1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is WIYJOWZMBTZMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c15-10-12-11-9(7-5-14-6-7)13(10)8-3-1-2-4-8/h7-8H,1-6H2,(H,12,15).
What are the key properties of 4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione?
4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 225.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 165462872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).