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

C14H16N4O2S — CID 135447156

IUPAC2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCc1nnc(SCC(=O)NC(C)c2ccccc2)[nH]c1=O
InChIInChI=1S/C14H16N4O2S/c1-9(11-6-4-3-5-7-11)15-12(19)8-21-14-16-13(20)10(2)17-18-14/h3-7,9H,8H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyJQXWWNJHMFNCHH-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.44
Rot. Bonds5

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

2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide (PubChem CID 135447156) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
PubChem CID135447156
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCc1nnc(SCC(=O)NC(C)c2ccccc2)[nH]c1=O
InChIInChI=1S/C14H16N4O2S/c1-9(11-6-4-3-5-7-11)15-12(19)8-21-14-16-13(20)10(2)17-18-14/h3-7,9H,8H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyJQXWWNJHMFNCHH-UHFFFAOYSA-N
XLogP1.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.44
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-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide (CID 135447156) is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide is Cc1nnc(SCC(=O)NC(C)c2ccccc2)[nH]c1=O.
What is the InChIKey of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The InChIKey is JQXWWNJHMFNCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9(11-6-4-3-5-7-11)15-12(19)8-21-14-16-13(20)10(2)17-18-14/h3-7,9H,8H2,1-2H3,(H,15,19)(H,16,18,20).
What are the key properties of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide has a molecular weight of 304.38 g/mol, XLogP of 1.44, 5 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-(1-phenylethyl)acetamide is sourced from PubChem (CID 135447156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).