3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole

C16H15N3S — CID 893283

IUPAC3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole
SMILESCCSc1nnc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H15N3S/c1-2-20-16-18-17-15(13-9-5-3-6-10-13)19(16)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyFJXLSCRPRNOUAO-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.05
Rot. Bonds4

About 3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole

3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole (PubChem CID 893283) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole
PubChem CID893283
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole
SMILESCCSc1nnc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H15N3S/c1-2-20-16-18-17-15(13-9-5-3-6-10-13)19(16)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyFJXLSCRPRNOUAO-UHFFFAOYSA-N
XLogP4.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole 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

3-butylsulfanyl-4,5-diphenyl-1,2,4-triazole
CID 4006269
3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole
CID 7205487
3-(2-methoxyethylsulfanyl)-4,5-diphenyl-1,2,4-triazole
CID 78827340
3-[(2-methylphenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole
CID 7841245
3-(4-methylphenyl)-5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazole
CID 866235
3-[(3-methylphenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole
CID 3949955
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl-(2-hydroxyethyl)azanium
CID 2077730
3-benzylsulfanyl-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 2358983
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)ethanone
CID 5200143
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide
CID 40604888
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]ethanone
CID 124598443
2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanol
CID 17457233

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole?
The IUPAC name of 3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole (CID 893283) is 3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole is CCSc1nnc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole?
The InChIKey is FJXLSCRPRNOUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-20-16-18-17-15(13-9-5-3-6-10-13)19(16)14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of 3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole?
3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole has a molecular weight of 281.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 893283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).