2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide

C17H16N4O2S — CID 7256650

IUPAC2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nc(=O)n2ccccc2n1)NCCc1ccccc1
InChIInChI=1S/C17H16N4O2S/c22-15(18-10-9-13-6-2-1-3-7-13)12-24-16-19-14-8-4-5-11-21(14)17(23)20-16/h1-8,11H,9-10,12H2,(H,18,22)
InChIKeyNNQRTRYDMXMPJR-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.54
Rot. Bonds6

About 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide

2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 7256650) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID7256650
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nc(=O)n2ccccc2n1)NCCc1ccccc1
InChIInChI=1S/C17H16N4O2S/c22-15(18-10-9-13-6-2-1-3-7-13)12-24-16-19-14-8-4-5-11-21(14)17(23)20-16/h1-8,11H,9-10,12H2,(H,18,22)
InChIKeyNNQRTRYDMXMPJR-UHFFFAOYSA-N
XLogP1.54
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide with MolForge

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Related Compounds

2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2942184
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 2999100
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-benzylpropanamide
CID 4917997
N-benzyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256647
N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256717
N-benzyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259015
2-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7259104
2-((8-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)-N-phenethylacetamide
CID 7259189
2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 7259191
N-[(2-chlorophenyl)methyl]-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259235
N-benzyl-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259321
N-[(4-fluorophenyl)methyl]-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259323

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide (CID 7256650) is 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide is O=C(CSc1nc(=O)n2ccccc2n1)NCCc1ccccc1.
What is the InChIKey of 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is NNQRTRYDMXMPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-15(18-10-9-13-6-2-1-3-7-13)12-24-16-19-14-8-4-5-11-21(14)17(23)20-16/h1-8,11H,9-10,12H2,(H,18,22).
What are the key properties of 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 340.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7256650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).