2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide

C11H9FN4O3S — CID 717105

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1ccccc1F
InChIInChI=1S/C11H9FN4O3S/c12-6-3-1-2-4-7(6)13-8(17)5-20-10-9(18)14-11(19)16-15-10/h1-4H,5H2,(H,13,17)(H2,14,16,18,19)
InChIKeyOABNYXSGIALCFW-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.33
Rot. Bonds4

About 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 717105) has the molecular formula C11H9FN4O3S and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID717105
Molecular FormulaC11H9FN4O3S
Molecular Weight296.28 g/mol
Exact Mass296.04
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1ccccc1F
InChIInChI=1S/C11H9FN4O3S/c12-6-3-1-2-4-7(6)13-8(17)5-20-10-9(18)14-11(19)16-15-10/h1-4H,5H2,(H,13,17)(H2,14,16,18,19)
InChIKeyOABNYXSGIALCFW-UHFFFAOYSA-N
XLogP0.33
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 2340373
N-(2,4-difluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7183954
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 1405125
N-(2-cyanoethyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-phenylacetamide
CID 2340379
N-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 2375221
N-(2,4-dibromophenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 2378088
2-[2-oxo-2-[2-(phenylcarbamoyl)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide
CID 2822662
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 717118
2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)-N-(4-fluorophenyl)propanamide
CID 4099271
N-(4-Fluorophenyl)-2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-YL)sulfanyl]acetamide
CID 7183921
N-(3,4-difluorophenyl)-2-((6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)acetamide
CID 7183969
N-(4-Fluorophenyl)-2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-YL)sulfanyl]acetamide
CID 23605430

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide (CID 717105) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1ccccc1F.
What is the InChIKey of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is OABNYXSGIALCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O3S/c12-6-3-1-2-4-7(6)13-8(17)5-20-10-9(18)14-11(19)16-15-10/h1-4H,5H2,(H,13,17)(H2,14,16,18,19).
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 296.28 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 717105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).