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

C11H12N4O2S2 — CID 135449512

IUPAC2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1nnc(SCC(=O)NCc2cccs2)[nH]c1=O
InChIInChI=1S/C11H12N4O2S2/c1-7-10(17)13-11(15-14-7)19-6-9(16)12-5-8-3-2-4-18-8/h2-4H,5-6H2,1H3,(H,12,16)(H,13,15,17)
InChIKeyJPQRRJVAZXSCNF-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.94
Rot. Bonds5

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

2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 135449512) has the molecular formula C11H12N4O2S2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID135449512
Molecular FormulaC11H12N4O2S2
Molecular Weight296.38 g/mol
Exact Mass296.04
IUPAC Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1nnc(SCC(=O)NCc2cccs2)[nH]c1=O
InChIInChI=1S/C11H12N4O2S2/c1-7-10(17)13-11(15-14-7)19-6-9(16)12-5-8-3-2-4-18-8/h2-4H,5-6H2,1H3,(H,12,16)(H,13,15,17)
InChIKeyJPQRRJVAZXSCNF-UHFFFAOYSA-N
XLogP0.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 135449512) is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is Cc1nnc(SCC(=O)NCc2cccs2)[nH]c1=O.
What is the InChIKey of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JPQRRJVAZXSCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S2/c1-7-10(17)13-11(15-14-7)19-6-9(16)12-5-8-3-2-4-18-8/h2-4H,5-6H2,1H3,(H,12,16)(H,13,15,17).
What are the key properties of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 296.38 g/mol, XLogP of 0.94, 5 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-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 135449512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).