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

C18H18N4O2S — CID 7256715

IUPACN-(3,5-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2nc(=O)n3cc(C)ccc3n2)c1
InChIInChI=1S/C18H18N4O2S/c1-11-4-5-15-20-17(21-18(24)22(15)9-11)25-10-16(23)19-14-7-12(2)6-13(3)8-14/h4-9H,10H2,1-3H3,(H,19,23)
InChIKeyCSCSRGVLMGWRJD-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.75
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7256715) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7256715
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(3,5-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2nc(=O)n3cc(C)ccc3n2)c1
InChIInChI=1S/C18H18N4O2S/c1-11-4-5-15-20-17(21-18(24)22(15)9-11)25-10-16(23)19-14-7-12(2)6-13(3)8-14/h4-9H,10H2,1-3H3,(H,19,23)
InChIKeyCSCSRGVLMGWRJD-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

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

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Related Compounds

2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]thio}-N-cyclohexylacetamide
CID 2171845
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1521459
2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 753421
N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259317
N-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256609
N-benzyl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256647
N-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256714
N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256717
N-(3-fluorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256720
N-benzyl-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259015
N-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259078
2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7259110

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7256715) is N-(3,5-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is Cc1cc(C)cc(NC(=O)CSc2nc(=O)n3cc(C)ccc3n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is CSCSRGVLMGWRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-4-5-15-20-17(21-18(24)22(15)9-11)25-10-16(23)19-14-7-12(2)6-13(3)8-14/h4-9H,10H2,1-3H3,(H,19,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-(3,5-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-(3,5-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7256715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).