5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione

C10H17N3S — CID 104602175

IUPAC5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione
SMILESCCC1(c2nc(=S)n(C)[nH]2)CCCC1
InChIInChI=1S/C10H17N3S/c1-3-10(6-4-5-7-10)8-11-9(14)13(2)12-8/h3-7H2,1-2H3,(H,11,12,14)
InChIKeyJGBNJCPBPXIVJP-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.70
Rot. Bonds2

About 5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione

5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione (PubChem CID 104602175) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione
PubChem CID104602175
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione
SMILESCCC1(c2nc(=S)n(C)[nH]2)CCCC1
InChIInChI=1S/C10H17N3S/c1-3-10(6-4-5-7-10)8-11-9(14)13(2)12-8/h3-7H2,1-2H3,(H,11,12,14)
InChIKeyJGBNJCPBPXIVJP-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione?
The IUPAC name of 5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione (CID 104602175) is 5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione?
The canonical SMILES for 5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione is CCC1(c2nc(=S)n(C)[nH]2)CCCC1.
What is the InChIKey of 5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione?
The InChIKey is JGBNJCPBPXIVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-10(6-4-5-7-10)8-11-9(14)13(2)12-8/h3-7H2,1-2H3,(H,11,12,14).
What are the key properties of 5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione?
5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione has a molecular weight of 211.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylcyclopentyl)-2-methyl-1H-1,2,4-triazole-3-thione is sourced from PubChem (CID 104602175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).