N-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

C16H13ClN4O2S — CID 7259074

IUPACN-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)nc(=O)n2c1
InChIInChI=1S/C16H13ClN4O2S/c1-10-2-7-13-19-15(20-16(23)21(13)8-10)24-9-14(22)18-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3,(H,18,22)
InChIKeyZFVJNIXBSRWUOT-UHFFFAOYSA-N
MW360.83 g/mol
LogP2.78
Rot. Bonds4

About N-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

N-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7259074) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7259074
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC NameN-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)nc(=O)n2c1
InChIInChI=1S/C16H13ClN4O2S/c1-10-2-7-13-19-15(20-16(23)21(13)8-10)24-9-14(22)18-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3,(H,18,22)
InChIKeyZFVJNIXBSRWUOT-UHFFFAOYSA-N
XLogP2.78
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 135461905
CID 135461905
CID 7259317
CID 7259317
CID 2539933
CID 2539933
CID 7256717
CID 7256717
CID 7256720
CID 7256720
CID 7259073
CID 7259073
CID 7259078
CID 7259078
CID 3352225
CID 3352225
CID 7256722
CID 7256722
CID 7256718
CID 7256718
CID 7256721
CID 7256721
CID 7259318
CID 7259318

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7259074) is N-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is Cc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)nc(=O)n2c1.
What is the InChIKey of N-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is ZFVJNIXBSRWUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c1-10-2-7-13-19-15(20-16(23)21(13)8-10)24-9-14(22)18-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3,(H,18,22).
What are the key properties of N-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide has a molecular weight of 360.83 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7259074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).