4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione

C10H17N3S — CID 130964389

IUPAC4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione
SMILESCCC(C1CCCC1)n1cn[nH]c1=S
InChIInChI=1S/C10H17N3S/c1-2-9(8-5-3-4-6-8)13-7-11-12-10(13)14/h7-9H,2-6H2,1H3,(H,12,14)
InChIKeyMBMFMVSCEOLKTO-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.08
Rot. Bonds3

About 4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione

4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione (PubChem CID 130964389) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione
PubChem CID130964389
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione
SMILESCCC(C1CCCC1)n1cn[nH]c1=S
InChIInChI=1S/C10H17N3S/c1-2-9(8-5-3-4-6-8)13-7-11-12-10(13)14/h7-9H,2-6H2,1H3,(H,12,14)
InChIKeyMBMFMVSCEOLKTO-UHFFFAOYSA-N
XLogP3.08
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-cyclobutylpropyl)-5-methyl-1H-imidazole-2-thione
CID 130752261
3-(1-cyclopropylpropyl)-5-methyl-1H-imidazole-2-thione
CID 131071274
4-(1-cyclopentyl-2-hydroxyethyl)-1H-1,2,4-triazol-5-one
CID 130815775
4-(1-cyclohexylpropyl)-3-phenyl-1H-1,2,4-triazole-5-thione
CID 63544917
4-(1-cyclohexylpropyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
CID 62407738
4-tert-butyl-3-(1-cyclohexylpropyl)-1H-imidazole-2-thione
CID 81335327
4-octan-4-yl-1H-1,2,4-triazole-5-thione
CID 106019341
3-[3-(1-cyclohexylpropyl)imidazol-4-yl]pyridin-4-amine
CID 114720144
1-(1-cyclopentylpropyl)imidazole
CID 174543958
2-cyclopentyl-2-(5-pentan-3-ylimidazol-1-yl)ethanamine
CID 106738456
3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione
CID 130620513
2-(5-tert-butylimidazol-1-yl)-2-cyclopentylethanamine
CID 106738472

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione (CID 130964389) is 4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione is CCC(C1CCCC1)n1cn[nH]c1=S.
What is the InChIKey of 4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione?
The InChIKey is MBMFMVSCEOLKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-9(8-5-3-4-6-8)13-7-11-12-10(13)14/h7-9H,2-6H2,1H3,(H,12,14).
What are the key properties of 4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione?
4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione has a molecular weight of 211.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentylpropyl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 130964389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).