N-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide

C14H16N6O3S — CID 4240056

IUPACN-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)cc1
InChIInChI=1S/C14H16N6O3S/c1-8-13(23)20(15)14(19-18-8)24-7-12(22)17-11-5-3-10(4-6-11)16-9(2)21/h3-6H,7,15H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyHIDCHIPPGZPICF-UHFFFAOYSA-N
MW348.39 g/mol
LogP0.35
Rot. Bonds5

About N-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide

N-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 4240056) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID4240056
Molecular FormulaC14H16N6O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC NameN-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)cc1
InChIInChI=1S/C14H16N6O3S/c1-8-13(23)20(15)14(19-18-8)24-7-12(22)17-11-5-3-10(4-6-11)16-9(2)21/h3-6H,7,15H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyHIDCHIPPGZPICF-UHFFFAOYSA-N
XLogP0.35
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419165
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 2388776
2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
CID 7196632
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 7196636
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-fluorophenyl)acetamide
CID 7196648
2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 7197225
2-((4-Amino-4,5-dihydro-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide
CID 853533
2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 137241419
2-(5-Hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-N-phenyl-acetamide
CID 135441944
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-butylphenyl)acetamide
CID 7196642
2-(5-Hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-N-o-tolyl-acetamide
CID 135437943
N-(4-bromophenyl)-2-[(5-hydroxy-6-methyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135484729

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 4240056) is N-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide is CC(=O)Nc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is HIDCHIPPGZPICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S/c1-8-13(23)20(15)14(19-18-8)24-7-12(22)17-11-5-3-10(4-6-11)16-9(2)21/h3-6H,7,15H2,1-2H3,(H,16,21)(H,17,22).
What are the key properties of N-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 348.39 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 4240056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).