4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione

C10H12N4S — CID 13402338

IUPAC4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione
SMILESCCc1n[nH]c(=S)n1Nc1ccccc1
InChIInChI=1S/C10H12N4S/c1-2-9-11-12-10(15)14(9)13-8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,12,15)
InChIKeyKDYCMFQERYJMLC-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.38
Rot. Bonds3

About 4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione

4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione (PubChem CID 13402338) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione
PubChem CID13402338
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione
SMILESCCc1n[nH]c(=S)n1Nc1ccccc1
InChIInChI=1S/C10H12N4S/c1-2-9-11-12-10(15)14(9)13-8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,12,15)
InChIKeyKDYCMFQERYJMLC-UHFFFAOYSA-N
XLogP2.38
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-anilino-3-ethyl-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

4-anilino-3-methyl-1H-1,2,4-triazole-5-thione
CID 10954722
4-anilino-3-(4,6-dimethylpyrimidin-2-yl)-1H-1,2,4-triazole-5-thione
CID 171988727
4-benzyl-3-ethyl-1H-1,2,4-triazole-5-thione
CID 13402331
4-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione
CID 4726231
4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione
CID 66539741
4-anilino-3-(phenoxymethyl)-1H-1,2,4-triazol-5-one
CID 15850102
4-(4-ethylphenyl)-3-(2-phenylethyl)-1H-1,2,4-triazole-5-thione
CID 951891
4-[(2-ethoxyphenyl)methylamino]-3-propyl-1H-1,2,4-triazole-5-thione
CID 4725888
4-ethyl-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CID 789079
4-(dimethylamino)-3-ethyl-1H-1,2,4-triazole-5-thione
CID 83017824
4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione
CID 4726175
4-(furan-2-ylmethylamino)-3-propyl-1H-1,2,4-triazole-5-thione
CID 4725982

Frequently Asked Questions

What is the IUPAC name of 4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione (CID 13402338) is 4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione is CCc1n[nH]c(=S)n1Nc1ccccc1.
What is the InChIKey of 4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione?
The InChIKey is KDYCMFQERYJMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-2-9-11-12-10(15)14(9)13-8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,12,15).
What are the key properties of 4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione?
4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione has a molecular weight of 220.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 13402338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).