4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione

C14H25N5S — CID 43645264

IUPAC4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione
SMILESCN(C)C1CCN(c2n[nH]c(=S)n2C2CCCC2)CC1
InChIInChI=1S/C14H25N5S/c1-17(2)11-7-9-18(10-8-11)13-15-16-14(20)19(13)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H,16,20)
InChIKeyLEPKSGBXFJQHBF-UHFFFAOYSA-N
MW295.46 g/mol
LogP2.59
Rot. Bonds3

About 4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione

4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione (PubChem CID 43645264) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is 4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione
PubChem CID43645264
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC Name4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione
SMILESCN(C)C1CCN(c2n[nH]c(=S)n2C2CCCC2)CC1
InChIInChI=1S/C14H25N5S/c1-17(2)11-7-9-18(10-8-11)13-15-16-14(20)19(13)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H,16,20)
InChIKeyLEPKSGBXFJQHBF-UHFFFAOYSA-N
XLogP2.59
TPSA40.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 52.59
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-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione (CID 43645264) is 4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione is CN(C)C1CCN(c2n[nH]c(=S)n2C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione?
The InChIKey is LEPKSGBXFJQHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c1-17(2)11-7-9-18(10-8-11)13-15-16-14(20)19(13)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H,16,20).
What are the key properties of 4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione?
4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione has a molecular weight of 295.46 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-[4-(dimethylamino)piperidin-1-yl]-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 43645264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).