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

C18H18N4O2S — CID 7256717

IUPACN-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2nc(=O)n3cc(C)ccc3n2)cc1
InChIInChI=1S/C18H18N4O2S/c1-3-13-5-7-14(8-6-13)19-16(23)11-25-17-20-15-9-4-12(2)10-22(15)18(24)21-17/h4-10H,3,11H2,1-2H3,(H,19,23)
InChIKeyWVZPBCUWHDEYBZ-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.69
Rot. Bonds5

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

N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7256717) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7256717
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2nc(=O)n3cc(C)ccc3n2)cc1
InChIInChI=1S/C18H18N4O2S/c1-3-13-5-7-14(8-6-13)19-16(23)11-25-17-20-15-9-4-12(2)10-22(15)18(24)21-17/h4-10H,3,11H2,1-2H3,(H,19,23)
InChIKeyWVZPBCUWHDEYBZ-UHFFFAOYSA-N
XLogP2.69
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7256717) is N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is CCc1ccc(NC(=O)CSc2nc(=O)n3cc(C)ccc3n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is WVZPBCUWHDEYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-3-13-5-7-14(8-6-13)19-16(23)11-25-17-20-15-9-4-12(2)10-22(15)18(24)21-17/h4-10H,3,11H2,1-2H3,(H,19,23).
What are the key properties of N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide has a molecular weight of 354.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7256717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).