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

C17H15ClN4O2S — CID 7259078

IUPACN-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)nc(=O)n2c1
InChIInChI=1S/C17H15ClN4O2S/c1-10-3-6-14-20-16(21-17(24)22(14)8-10)25-9-15(23)19-12-5-4-11(2)13(18)7-12/h3-8H,9H2,1-2H3,(H,19,23)
InChIKeyXMZZFSLFKJXDCT-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.09
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7259078) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7259078
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)nc(=O)n2c1
InChIInChI=1S/C17H15ClN4O2S/c1-10-3-6-14-20-16(21-17(24)22(14)8-10)25-9-15(23)19-12-5-4-11(2)13(18)7-12/h3-8H,9H2,1-2H3,(H,19,23)
InChIKeyXMZZFSLFKJXDCT-UHFFFAOYSA-N
XLogP3.09
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7259078) is N-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is Cc1ccc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)nc(=O)n2c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is XMZZFSLFKJXDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-10-3-6-14-20-16(21-17(24)22(14)8-10)25-9-15(23)19-12-5-4-11(2)13(18)7-12/h3-8H,9H2,1-2H3,(H,19,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide has a molecular weight of 374.85 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7259078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).