2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide

C18H18N4O2S — CID 7259189

IUPAC2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1ccn2c(=O)nc(SCC(=O)NCCc3ccccc3)nc2c1
InChIInChI=1S/C18H18N4O2S/c1-13-8-10-22-15(11-13)20-17(21-18(22)24)25-12-16(23)19-9-7-14-5-3-2-4-6-14/h2-6,8,10-11H,7,9,12H2,1H3,(H,19,23)
InChIKeyYVKFIDRUYXHGIJ-UHFFFAOYSA-N
MW354.44 g/mol
LogP1.85
Rot. Bonds6

About 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide

2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 7259189) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID7259189
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1ccn2c(=O)nc(SCC(=O)NCCc3ccccc3)nc2c1
InChIInChI=1S/C18H18N4O2S/c1-13-8-10-22-15(11-13)20-17(21-18(22)24)25-12-16(23)19-9-7-14-5-3-2-4-6-14/h2-6,8,10-11H,7,9,12H2,1H3,(H,19,23)
InChIKeyYVKFIDRUYXHGIJ-UHFFFAOYSA-N
XLogP1.85
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)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-(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]thio}-N-benzylpropanamide
CID 4917997
N-benzyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256647
2-({4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
CID 7256650
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-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
2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-(2-phenylethyl)acetamide
CID 135441620

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide (CID 7259189) is 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide is Cc1ccn2c(=O)nc(SCC(=O)NCCc3ccccc3)nc2c1.
What is the InChIKey of 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is YVKFIDRUYXHGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-8-10-22-15(11-13)20-17(21-18(22)24)25-12-16(23)19-9-7-14-5-3-2-4-6-14/h2-6,8,10-11H,7,9,12H2,1H3,(H,19,23).
What are the key properties of 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 354.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7259189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).