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

C22H24N4O2S — CID 6407532

IUPAC2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1
InChIInChI=1S/C22H24N4O2S/c1-15-4-8-17(9-5-15)20-21(18-10-6-16(2)7-11-18)25-26-22(24-20)29-14-19(27)23-12-13-28-3/h4-11H,12-14H2,1-3H3,(H,23,27)
InChIKeyRHFUSZLHDBDHDS-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.68
Rot. Bonds8

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

2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 6407532) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID6407532
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1
InChIInChI=1S/C22H24N4O2S/c1-15-4-8-17(9-5-15)20-21(18-10-6-16(2)7-11-18)25-26-22(24-20)29-14-19(27)23-12-13-28-3/h4-11H,12-14H2,1-3H3,(H,23,27)
InChIKeyRHFUSZLHDBDHDS-UHFFFAOYSA-N
XLogP3.68
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.68
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-bis(4-methylphenyl)-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

Related Compounds

2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetamide
CID 2816402
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(oxolan-2-ylmethyl)propanamide
CID 6416725
2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N,N-diethylacetamide
CID 6402754
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)butanamide
CID 6415329
Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate
CID 2789036
3-((2-Oxo-2-(1-piperidinyl)ethyl)thio)-5,6-diphenyl-1,2,4-triazine
CID 3129569
2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide
CID 6403033
2-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 660184
2-{[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-tert-butylacetamide
CID 6408758
6-Amino-5-[2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 6409195
2-[[5,6-Bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 6409291
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 6409400

Frequently Asked Questions

What is the IUPAC name of 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide (CID 6407532) is 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is RHFUSZLHDBDHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-15-4-8-17(9-5-15)20-21(18-10-6-16(2)7-11-18)25-26-22(24-20)29-14-19(27)23-12-13-28-3/h4-11H,12-14H2,1-3H3,(H,23,27).
What are the key properties of 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide?
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 408.53 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 6407532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).