2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C15H18N4O3S — CID 7259332

IUPAC2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cccn2c(=O)nc(SCC(=O)NC[C@H]3CCCO3)nc12
InChIInChI=1S/C15H18N4O3S/c1-10-4-2-6-19-13(10)17-14(18-15(19)21)23-9-12(20)16-8-11-5-3-7-22-11/h2,4,6,11H,3,5,7-9H2,1H3,(H,16,20)/t11-/m1/s1
InChIKeyZTPQUKWYRASSSD-LLVKDONJSA-N
MW334.40 g/mol
LogP0.79
Rot. Bonds5

About 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 7259332) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID7259332
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cccn2c(=O)nc(SCC(=O)NC[C@H]3CCCO3)nc12
InChIInChI=1S/C15H18N4O3S/c1-10-4-2-6-19-13(10)17-14(18-15(19)21)23-9-12(20)16-8-11-5-3-7-22-11/h2,4,6,11H,3,5,7-9H2,1H3,(H,16,20)/t11-/m1/s1
InChIKeyZTPQUKWYRASSSD-LLVKDONJSA-N
XLogP0.79
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7259023
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 934223
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 934221
N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
CID 7223501
2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 17412559
N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259317
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2500205
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8019525
2-(2-methylquinazolin-4-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7145707
N-(oxolan-2-ylmethyl)-2-[4-oxo-3-[3-[4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]propyl]quinazolin-2-yl]sulfanylacetamide
CID 46370314
2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7183957
N-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259298

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 7259332) is 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1cccn2c(=O)nc(SCC(=O)NC[C@H]3CCCO3)nc12.
What is the InChIKey of 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is ZTPQUKWYRASSSD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10-4-2-6-19-13(10)17-14(18-15(19)21)23-9-12(20)16-8-11-5-3-7-22-11/h2,4,6,11H,3,5,7-9H2,1H3,(H,16,20)/t11-/m1/s1.
What are the key properties of 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 7259332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).