N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

C16H12Cl2N4O2S — CID 7259225

IUPACN-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1ccn2c(=O)nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C16H12Cl2N4O2S/c1-9-4-5-22-13(6-9)20-15(21-16(22)24)25-8-14(23)19-10-2-3-11(17)12(18)7-10/h2-7H,8H2,1H3,(H,19,23)
InChIKeyAFUUEEHMGGXAPC-UHFFFAOYSA-N
MW395.27 g/mol
LogP3.44
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7259225) has the molecular formula C16H12Cl2N4O2S and a molecular weight of 395.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7259225
Molecular FormulaC16H12Cl2N4O2S
Molecular Weight395.27 g/mol
Exact Mass394.01
IUPAC NameN-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1ccn2c(=O)nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C16H12Cl2N4O2S/c1-9-4-5-22-13(6-9)20-15(21-16(22)24)25-8-14(23)19-10-2-3-11(17)12(18)7-10/h2-7H,8H2,1H3,(H,19,23)
InChIKeyAFUUEEHMGGXAPC-UHFFFAOYSA-N
XLogP3.44
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259190
2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 7259216
2-[[4,6-bis[[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 110184146
N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259156
N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256643
N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 808918
N-(3,4-dichlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
CID 17059932
N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256626
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79126902
N-(4-methoxyphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256725
N-(3,4-dichlorophenyl)-2-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 4004795
N-(1,3-benzodioxol-5-yl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256738

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7259225) is N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is Cc1ccn2c(=O)nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is AFUUEEHMGGXAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2S/c1-9-4-5-22-13(6-9)20-15(21-16(22)24)25-8-14(23)19-10-2-3-11(17)12(18)7-10/h2-7H,8H2,1H3,(H,19,23).
What are the key properties of N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide has a molecular weight of 395.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7259225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).