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

C18H18N4O2S — CID 7256714

IUPACN-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc(=O)n3cc(C)ccc3n2)c(C)c1
InChIInChI=1S/C18H18N4O2S/c1-11-4-6-14(13(3)8-11)19-16(23)10-25-17-20-15-7-5-12(2)9-22(15)18(24)21-17/h4-9H,10H2,1-3H3,(H,19,23)
InChIKeyNSOWBTPXUOCSSU-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.75
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7256714) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7256714
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc(=O)n3cc(C)ccc3n2)c(C)c1
InChIInChI=1S/C18H18N4O2S/c1-11-4-6-14(13(3)8-11)19-16(23)10-25-17-20-15-7-5-12(2)9-22(15)18(24)21-17/h4-9H,10H2,1-3H3,(H,19,23)
InChIKeyNSOWBTPXUOCSSU-UHFFFAOYSA-N
XLogP2.75
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2981149
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CID 753421
CID 753421
CID 7259317
CID 7259317
CID 7256609
CID 7256609
CID 7256715
CID 7256715
CID 7256717
CID 7256717
CID 7256720
CID 7256720
CID 7259015
CID 7259015
CID 7259078
CID 7259078
CID 7259110
CID 7259110
CID 7259418
CID 7259418

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7256714) is N-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2nc(=O)n3cc(C)ccc3n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is NSOWBTPXUOCSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-4-6-14(13(3)8-11)19-16(23)10-25-17-20-15-7-5-12(2)9-22(15)18(24)21-17/h4-9H,10H2,1-3H3,(H,19,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-(2,4-dimethylphenyl)-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 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7256714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).