2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide

C20H20N4O2S — CID 6409400

IUPAC2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O2S/c1-26-13-12-21-17(25)14-27-20-22-18(15-8-4-2-5-9-15)19(23-24-20)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,21,25)
InChIKeyLLUOSUGZUXDFMP-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.06
Rot. Bonds8

About 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide

2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 6409400) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID6409400
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O2S/c1-26-13-12-21-17(25)14-27-20-22-18(15-8-4-2-5-9-15)19(23-24-20)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,21,25)
InChIKeyLLUOSUGZUXDFMP-UHFFFAOYSA-N
XLogP3.06
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide 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 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (CID 6409400) is 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is LLUOSUGZUXDFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-26-13-12-21-17(25)14-27-20-22-18(15-8-4-2-5-9-15)19(23-24-20)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,21,25).
What are the key properties of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 380.47 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 6409400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).