4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione

C10H17N3S — CID 115389531

IUPAC4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione
SMILESCCn1c(C2(C)CCCC2)n[nH]c1=S
InChIInChI=1S/C10H17N3S/c1-3-13-8(11-12-9(13)14)10(2)6-4-5-7-10/h3-7H2,1-2H3,(H,12,14)
InChIKeyNIDDARMAUIDGSL-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.79
Rot. Bonds2

About 4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione

4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione (PubChem CID 115389531) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione
PubChem CID115389531
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione
SMILESCCn1c(C2(C)CCCC2)n[nH]c1=S
InChIInChI=1S/C10H17N3S/c1-3-13-8(11-12-9(13)14)10(2)6-4-5-7-10/h3-7H2,1-2H3,(H,12,14)
InChIKeyNIDDARMAUIDGSL-UHFFFAOYSA-N
XLogP2.79
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.79
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-(8-azaspiro[4.5]decan-8-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
CID 63159186
3-ethyl-4-[(1-methylcyclopentyl)methyl]-1H-1,2,4-triazole-5-thione
CID 63829600
[4-ethyl-5-(1-methylcyclopentyl)-1,2,4-triazol-3-yl]methanol
CID 115396722
4-(2-methylpropyl)-3-[1-(2-methylpropyl)cyclopentyl]-1H-1,2,4-triazole-5-thione
CID 115390958
3-bromo-4-ethyl-1H-1,2,4-triazole-5-thione
CID 163359565
3-(azocan-1-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
CID 43424246
4-ethyl-3-(hydroxymethyl)-1H-1,2,4-triazole-5-thione
CID 22938392
4-ethyl-3-(3,3,4-trimethylpiperazin-1-yl)-1H-1,2,4-triazole-5-thione
CID 63635001
4-ethyl-3-[methyl-(2-methylcyclohexyl)amino]-1H-1,2,4-triazole-5-thione
CID 55004947
4-[(1-methylcyclopentyl)methyl]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 63829958
3-(2,2-dimethylpropyl)-4-ethyl-1H-1,2,4-triazole-5-thione
CID 53263753
3-(1-adamantyl)-4-ethyl-5-ethylsulfanyl-1,2,4-triazole;3-(1-adamantyl)-4-ethyl-1H-1,2,4-triazole-5-thione;deuterium monohydride
CID 161228801

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione (CID 115389531) is 4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione is CCn1c(C2(C)CCCC2)n[nH]c1=S.
What is the InChIKey of 4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione?
The InChIKey is NIDDARMAUIDGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-13-8(11-12-9(13)14)10(2)6-4-5-7-10/h3-7H2,1-2H3,(H,12,14).
What are the key properties of 4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione?
4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione has a molecular weight of 211.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(1-methylcyclopentyl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 115389531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).