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

C14H16N4O2S — CID 135472820

IUPACN-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(C)c(=O)[nH]2)cc1C
InChIInChI=1S/C14H16N4O2S/c1-8-4-5-11(6-9(8)2)15-12(19)7-21-14-16-13(20)10(3)17-18-14/h4-6H,7H2,1-3H3,(H,15,19)(H,16,18,20)
InChIKeyVEXXFTVDMSKWJA-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.82
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 135472820) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID135472820
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(C)c(=O)[nH]2)cc1C
InChIInChI=1S/C14H16N4O2S/c1-8-4-5-11(6-9(8)2)15-12(19)7-21-14-16-13(20)10(3)17-18-14/h4-6H,7H2,1-3H3,(H,15,19)(H,16,18,20)
InChIKeyVEXXFTVDMSKWJA-UHFFFAOYSA-N
XLogP1.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-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-methylphenyl)acetamide
CID 7196636
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-(6-Methyl-5-oxo-4,5-dihydro-[1,2,4]triazin-3-ylsulfanyl)-N-naphthalen-1-yl-butyramide
CID 135403906
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 135519911
N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 135543861
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-[(6-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135398997
S-[2-(2,3-dimethylanilino)-2-oxoethyl] carbamothioate
CID 2241158
N-{2-[3-(allylthio)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}propanamide
CID 135406746
N-(4-methylphenyl)-2-[(4-oxo-6-propyl-1,4-dihydro-2-pyrimidinyl)thio]acetamide
CID 135408881
2-(5-Hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-N-phenyl-acetamide
CID 135441944

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 135472820) is N-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2nnc(C)c(=O)[nH]2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is VEXXFTVDMSKWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8-4-5-11(6-9(8)2)15-12(19)7-21-14-16-13(20)10(3)17-18-14/h4-6H,7H2,1-3H3,(H,15,19)(H,16,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 304.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 135472820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).