4-cyclopentyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione

C11H18N4OS — CID 43645398

IUPAC4-cyclopentyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione
SMILESS=c1[nH]nc(N2CCOCC2)n1C1CCCC1
InChIInChI=1S/C11H18N4OS/c17-11-13-12-10(14-5-7-16-8-6-14)15(11)9-3-1-2-4-9/h9H,1-8H2,(H,13,17)
InChIKeyHRZDANGKLBKGCY-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.89
Rot. Bonds2

About 4-cyclopentyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione

4-cyclopentyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione (PubChem CID 43645398) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-cyclopentyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-cyclopentyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione
PubChem CID43645398
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-cyclopentyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione
SMILESS=c1[nH]nc(N2CCOCC2)n1C1CCCC1
InChIInChI=1S/C11H18N4OS/c17-11-13-12-10(14-5-7-16-8-6-14)15(11)9-3-1-2-4-9/h9H,1-8H2,(H,13,17)
InChIKeyHRZDANGKLBKGCY-UHFFFAOYSA-N
XLogP1.89
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-morpholin-4-yl-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-cyclopentyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione (CID 43645398) is 4-cyclopentyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-cyclopentyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-cyclopentyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione is S=c1[nH]nc(N2CCOCC2)n1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione?
The InChIKey is HRZDANGKLBKGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c17-11-13-12-10(14-5-7-16-8-6-14)15(11)9-3-1-2-4-9/h9H,1-8H2,(H,13,17).
What are the key properties of 4-cyclopentyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione?
4-cyclopentyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione has a molecular weight of 254.36 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 43645398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).