7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione

C10H9ClN4S — CID 25009133

IUPAC7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione
SMILESS=c1[nH]nc2n1CCN2c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4S/c11-7-1-3-8(4-2-7)14-5-6-15-9(14)12-13-10(15)16/h1-4H,5-6H2,(H,13,16)
InChIKeyGXPAIUJQRGQYNJ-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.75
Rot. Bonds1

About 7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione

7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione (PubChem CID 25009133) has the molecular formula C10H9ClN4S and a molecular weight of 252.73 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione
PubChem CID25009133
Molecular FormulaC10H9ClN4S
Molecular Weight252.73 g/mol
Exact Mass252.02
IUPAC Name7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione
SMILESS=c1[nH]nc2n1CCN2c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4S/c11-7-1-3-8(4-2-7)14-5-6-15-9(14)12-13-10(15)16/h1-4H,5-6H2,(H,13,16)
InChIKeyGXPAIUJQRGQYNJ-UHFFFAOYSA-N
XLogP2.75
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][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 7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione?
The IUPAC name of 7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione (CID 25009133) is 7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione.
What is the SMILES notation for 7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione?
The canonical SMILES for 7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione is S=c1[nH]nc2n1CCN2c1ccc(Cl)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione?
The InChIKey is GXPAIUJQRGQYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S/c11-7-1-3-8(4-2-7)14-5-6-15-9(14)12-13-10(15)16/h1-4H,5-6H2,(H,13,16).
What are the key properties of 7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione?
7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione has a molecular weight of 252.73 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5,6-dihydro-2H-imidazo[2,1-c][1,2,4]triazole-3-thione is sourced from PubChem (CID 25009133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).