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

C13H14N4O2S — CID 135419165

IUPAC2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C13H14N4O2S/c1-8-3-5-10(6-4-8)14-11(18)7-20-13-15-12(19)9(2)16-17-13/h3-6H,7H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyGTYWEZMRNFHXGG-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.51
Rot. Bonds4

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

2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 135419165) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
PubChem CID135419165
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C13H14N4O2S/c1-8-3-5-10(6-4-8)14-11(18)7-20-13-15-12(19)9(2)16-17-13/h3-6H,7H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyGTYWEZMRNFHXGG-UHFFFAOYSA-N
XLogP1.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide (CID 135419165) is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nnc(C)c(=O)[nH]2)cc1.
What is the InChIKey of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide?
The InChIKey is GTYWEZMRNFHXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-8-3-5-10(6-4-8)14-11(18)7-20-13-15-12(19)9(2)16-17-13/h3-6H,7H2,1-2H3,(H,14,18)(H,15,17,19).
What are the key properties of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide?
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 290.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 135419165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).