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

C13H14N4O2S — CID 135402510

IUPACN-benzyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCc2ccccc2)[nH]c1=O
InChIInChI=1S/C13H14N4O2S/c1-9-12(19)15-13(17-16-9)20-8-11(18)14-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,18)(H,15,17,19)
InChIKeyGUXQKUYFGPGNRT-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.88
Rot. Bonds5

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

N-benzyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 135402510) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-benzyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID135402510
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-benzyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCc2ccccc2)[nH]c1=O
InChIInChI=1S/C13H14N4O2S/c1-9-12(19)15-13(17-16-9)20-8-11(18)14-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,18)(H,15,17,19)
InChIKeyGUXQKUYFGPGNRT-UHFFFAOYSA-N
XLogP0.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 135402510) is N-benzyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NCc2ccccc2)[nH]c1=O.
What is the InChIKey of N-benzyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is GUXQKUYFGPGNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-9-12(19)15-13(17-16-9)20-8-11(18)14-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,18)(H,15,17,19).
What are the key properties of N-benzyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-benzyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 290.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 135402510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).