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

C18H16N4O2S2 — CID 135764148

IUPAC2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)[nH]c1=O
InChIInChI=1S/C18H16N4O2S2/c1-12-17(24)20-18(22-21-12)25-11-16(23)19-14-9-5-6-10-15(14)26-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,23)(H,20,22,24)
InChIKeyKCOPRXUITRLBKH-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.36
Rot. Bonds6

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

2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 135764148) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID135764148
Molecular FormulaC18H16N4O2S2
Molecular Weight384.49 g/mol
Exact Mass384.07
IUPAC Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)[nH]c1=O
InChIInChI=1S/C18H16N4O2S2/c1-12-17(24)20-18(22-21-12)25-11-16(23)19-14-9-5-6-10-15(14)26-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,23)(H,20,22,24)
InChIKeyKCOPRXUITRLBKH-UHFFFAOYSA-N
XLogP3.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
CID 135441944
N-(2-ethoxyphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135466669
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 135466668
N-(3-acetamidophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135490028
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135963883
N-(4-acetylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135437935
N-[4-(dimethylamino)phenyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135427780
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 42118571
dimethyl 2-[[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
CID 135667329
N-(2-acetylphenyl)-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 136687745
N-(2-phenylsulfanylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4600275
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide (CID 135764148) is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide is Cc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)[nH]c1=O.
What is the InChIKey of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is KCOPRXUITRLBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c1-12-17(24)20-18(22-21-12)25-11-16(23)19-14-9-5-6-10-15(14)26-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,23)(H,20,22,24).
What are the key properties of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 384.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 135764148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).