4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione

C14H24N4S — CID 43424253

IUPAC4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione
SMILESCC1CCCCN1c1n[nH]c(=S)n1C1CCCCC1
InChIInChI=1S/C14H24N4S/c1-11-7-5-6-10-17(11)13-15-16-14(19)18(13)12-8-3-2-4-9-12/h11-12H,2-10H2,1H3,(H,16,19)
InChIKeyNWFAQZQKUUBUAE-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.82
Rot. Bonds2

About 4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione

4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 43424253) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione
PubChem CID43424253
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione
SMILESCC1CCCCN1c1n[nH]c(=S)n1C1CCCCC1
InChIInChI=1S/C14H24N4S/c1-11-7-5-6-10-17(11)13-15-16-14(19)18(13)12-8-3-2-4-9-12/h11-12H,2-10H2,1H3,(H,16,19)
InChIKeyNWFAQZQKUUBUAE-UHFFFAOYSA-N
XLogP3.82
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4H-1,2,4-Triazole-3-thiol, 5-amino-4-cyclohexyl-
CID 1255063
4-cyclohexyl-3-[methyl(2,2,2-trifluoroethyl)amino]-1H-1,2,4-triazole-5-thione
CID 60890454
4-cyclohexyl-3-[propyl(2,2,2-trifluoroethyl)amino]-1H-1,2,4-triazole-5-thione
CID 61607810
4-cyclohexyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-1,2,4-triazole-5-thione
CID 61607988
4-cyclohexyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-1H-1,2,4-triazole-5-thione
CID 61608023
4-cyclohexyl-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-1,2,4-triazole-5-thione
CID 65537731
4-cyclohexyl-3-[2,2-difluoroethyl(methyl)amino]-1H-1,2,4-triazole-5-thione
CID 116316525
4-cyclopropyl-5-(piperidin-1-yl)-4H-1,2,4-triazole-3-thiol
CID 16227440
4-cyclopropyl-5-(4-methylpiperidin-1-yl)-4H-1,2,4-triazole-3-thiol
CID 16227457
4-Methyl-5-(piperidin-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 16768109
2,4-Dihydro-4-methyl-5-(2-methyl-1-piperidinyl)-3H-1,2,4-triazole-3-thione
CID 16768048
4-Ethyl-2,4-dihydro-5-(1-piperidinyl)-3H-1,2,4-triazole-3-thione
CID 16768456

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione (CID 43424253) is 4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione is CC1CCCCN1c1n[nH]c(=S)n1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is NWFAQZQKUUBUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-11-7-5-6-10-17(11)13-15-16-14(19)18(13)12-8-3-2-4-9-12/h11-12H,2-10H2,1H3,(H,16,19).
What are the key properties of 4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione?
4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 280.44 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-(2-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 43424253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).