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

C17H22N4OS — CID 6411103

IUPAC2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSc1nnc(CC)c(CC)n1
InChIInChI=1S/C17H22N4OS/c1-4-12-9-7-8-10-15(12)18-16(22)11-23-17-19-13(5-2)14(6-3)20-21-17/h7-10H,4-6,11H2,1-3H3,(H,18,22)
InChIKeyXFTVMDMKVQGENQ-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.29
Rot. Bonds7

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

2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide (PubChem CID 6411103) 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-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
PubChem CID6411103
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSc1nnc(CC)c(CC)n1
InChIInChI=1S/C17H22N4OS/c1-4-12-9-7-8-10-15(12)18-16(22)11-23-17-19-13(5-2)14(6-3)20-21-17/h7-10H,4-6,11H2,1-3H3,(H,18,22)
InChIKeyXFTVMDMKVQGENQ-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

N-(2-ethylphenyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 7262813
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 6402774
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485
N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6412044
2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide
CID 31465715
N-(2-ethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731070
2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1134166
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6472287
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440472
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 46357656
N-(2-ethylphenyl)-2-[4-methyl-5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
CID 3646511

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide (CID 6411103) is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CSc1nnc(CC)c(CC)n1.
What is the InChIKey of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide?
The InChIKey is XFTVMDMKVQGENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-4-12-9-7-8-10-15(12)18-16(22)11-23-17-19-13(5-2)14(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-(2-ethylphenyl)acetamide?
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-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-(2-ethylphenyl)acetamide is sourced from PubChem (CID 6411103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).