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

C17H22N4OS — CID 6414945

IUPAC2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2nnc(CC)c(CC)n2)cc1
InChIInChI=1S/C17H22N4OS/c1-4-12-7-9-13(10-8-12)18-16(22)11-23-17-19-14(5-2)15(6-3)20-21-17/h7-10H,4-6,11H2,1-3H3,(H,18,22)
InChIKeyGXDKARZAYJWDLJ-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.29
Rot. Bonds7

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

2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide (PubChem CID 6414945) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
PubChem CID6414945
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2nnc(CC)c(CC)n2)cc1
InChIInChI=1S/C17H22N4OS/c1-4-12-7-9-13(10-8-12)18-16(22)11-23-17-19-14(5-2)15(6-3)20-21-17/h7-10H,4-6,11H2,1-3H3,(H,18,22)
InChIKeyGXDKARZAYJWDLJ-UHFFFAOYSA-N
XLogP3.29
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetamide
CID 2816402
2-((5-Methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide
CID 865210
2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide
CID 5076223
2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N,N-diethylacetamide
CID 6402754
2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide
CID 6403033
2-(5,6-Diethyl-[1,2,4]triazin-3-ylsulfanyl)-N-phenyl-acetamide
CID 652194
2-{[5,7-Dimethyl-6-(prop-2-EN-1-YL)-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
CID 4277025
N-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6401479
2-{[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-tert-butylacetamide
CID 6408758
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 6409400
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-methylacetamide
CID 6415303
2-{[5,6-Bis(4-methylphenyl)-1,2,4-triazin-3-YL]sulfanyl}-N-butylbutanamide
CID 6415331

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide (CID 6414945) is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CSc2nnc(CC)c(CC)n2)cc1.
What is the InChIKey of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide?
The InChIKey is GXDKARZAYJWDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-4-12-7-9-13(10-8-12)18-16(22)11-23-17-19-14(5-2)15(6-3)20-21-17/h7-10H,4-6,11H2,1-3H3,(H,18,22).
What are the key properties of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide?
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide has a molecular weight of 330.46 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 6414945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).