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

C13H22N4OS — CID 102965929

IUPAC4-cyclopentyl-3-(3-methoxypiperidin-1-yl)-1H-1,2,4-triazole-5-thione
SMILESCOC1CCCN(c2n[nH]c(=S)n2C2CCCC2)C1
InChIInChI=1S/C13H22N4OS/c1-18-11-7-4-8-16(9-11)12-14-15-13(19)17(12)10-5-2-3-6-10/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyUOTBIMGNMHXJLF-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.67
Rot. Bonds3

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

4-cyclopentyl-3-(3-methoxypiperidin-1-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 102965929) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-cyclopentyl-3-(3-methoxypiperidin-1-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-cyclopentyl-3-(3-methoxypiperidin-1-yl)-1H-1,2,4-triazole-5-thione
PubChem CID102965929
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-cyclopentyl-3-(3-methoxypiperidin-1-yl)-1H-1,2,4-triazole-5-thione
SMILESCOC1CCCN(c2n[nH]c(=S)n2C2CCCC2)C1
InChIInChI=1S/C13H22N4OS/c1-18-11-7-4-8-16(9-11)12-14-15-13(19)17(12)10-5-2-3-6-10/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyUOTBIMGNMHXJLF-UHFFFAOYSA-N
XLogP2.67
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopentyl-1H-1,2,4-triazole-5-thione
CID 63150509
4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione
CID 43645264
4-cyclopentyl-3-(4,4-diethylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione
CID 63408936
4-cyclopropyl-3-(3,4-dimethylpiperazin-1-yl)-1H-1,2,4-triazole-5-thione
CID 63633608
3-(8-azaspiro[4.5]decan-8-yl)-4-cyclopentyl-1H-1,2,4-triazole-5-thione
CID 63159233
4-cyclopentyl-3-(1-oxo-1,4-thiazinan-4-yl)-1H-1,2,4-triazole-5-thione
CID 54977021
4-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazole-5-thione
CID 63171349
4-cyclopentyl-3-[4-(2-methylpropyl)piperazin-1-yl]-1H-1,2,4-triazole-5-thione
CID 62776225
4-cyclopentyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-1,2,4-triazole-5-thione
CID 81475363
3-(3-ethoxypiperidin-1-yl)-4-propyl-1H-1,2,4-triazole-5-thione
CID 54989850
4-cyclopropyl-3-(3-phenylpyrrolidin-1-yl)-1H-1,2,4-triazole-5-thione
CID 62131588
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
CID 43645610

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-(3-methoxypiperidin-1-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-cyclopentyl-3-(3-methoxypiperidin-1-yl)-1H-1,2,4-triazole-5-thione (CID 102965929) is 4-cyclopentyl-3-(3-methoxypiperidin-1-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-cyclopentyl-3-(3-methoxypiperidin-1-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-cyclopentyl-3-(3-methoxypiperidin-1-yl)-1H-1,2,4-triazole-5-thione is COC1CCCN(c2n[nH]c(=S)n2C2CCCC2)C1.
What is the InChIKey of 4-cyclopentyl-3-(3-methoxypiperidin-1-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is UOTBIMGNMHXJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-18-11-7-4-8-16(9-11)12-14-15-13(19)17(12)10-5-2-3-6-10/h10-11H,2-9H2,1H3,(H,15,19).
What are the key properties of 4-cyclopentyl-3-(3-methoxypiperidin-1-yl)-1H-1,2,4-triazole-5-thione?
4-cyclopentyl-3-(3-methoxypiperidin-1-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 282.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-(3-methoxypiperidin-1-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 102965929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).