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

C13H16N4O2S — CID 7259216

IUPAC2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCc1ccn2c(=O)nc(SCC(=O)NC(C)C)nc2c1
InChIInChI=1S/C13H16N4O2S/c1-8(2)14-11(18)7-20-12-15-10-6-9(3)4-5-17(10)13(19)16-12/h4-6,8H,7H2,1-3H3,(H,14,18)
InChIKeyKTXTYMVIFPNVOQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.01
Rot. Bonds4

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

2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide (PubChem CID 7259216) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide
PubChem CID7259216
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCc1ccn2c(=O)nc(SCC(=O)NC(C)C)nc2c1
InChIInChI=1S/C13H16N4O2S/c1-8(2)14-11(18)7-20-12-15-10-6-9(3)4-5-17(10)13(19)16-12/h4-6,8H,7H2,1-3H3,(H,14,18)
InChIKeyKTXTYMVIFPNVOQ-UHFFFAOYSA-N
XLogP1.01
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-propan-2-ylacetamide?
The IUPAC name of 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide (CID 7259216) is 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide is Cc1ccn2c(=O)nc(SCC(=O)NC(C)C)nc2c1.
What is the InChIKey of 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide?
The InChIKey is KTXTYMVIFPNVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8(2)14-11(18)7-20-12-15-10-6-9(3)4-5-17(10)13(19)16-12/h4-6,8H,7H2,1-3H3,(H,14,18).
What are the key properties of 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide?
2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide has a molecular weight of 292.36 g/mol, XLogP of 1.01, 4 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-propan-2-ylacetamide is sourced from PubChem (CID 7259216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).