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

C12H11FN4O2S — CID 23605430

IUPACN-(4-fluorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide
SMILESCc1n[nH]c(=O)nc1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H11FN4O2S/c1-7-11(15-12(19)17-16-7)20-6-10(18)14-9-4-2-8(13)3-5-9/h2-5H,6H2,1H3,(H,14,18)(H,15,17,19)
InChIKeyXVMIAJJUFZFEBM-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.34
Rot. Bonds4

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

N-(4-fluorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide (PubChem CID 23605430) has the molecular formula C12H11FN4O2S and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide
PubChem CID23605430
Molecular FormulaC12H11FN4O2S
Molecular Weight294.31 g/mol
Exact Mass294.06
IUPAC NameN-(4-fluorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide
SMILESCc1n[nH]c(=O)nc1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H11FN4O2S/c1-7-11(15-12(19)17-16-7)20-6-10(18)14-9-4-2-8(13)3-5-9/h2-5H,6H2,1H3,(H,14,18)(H,15,17,19)
InChIKeyXVMIAJJUFZFEBM-UHFFFAOYSA-N
XLogP1.34
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide (CID 23605430) is N-(4-fluorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide is Cc1n[nH]c(=O)nc1SCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide?
The InChIKey is XVMIAJJUFZFEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2S/c1-7-11(15-12(19)17-16-7)20-6-10(18)14-9-4-2-8(13)3-5-9/h2-5H,6H2,1H3,(H,14,18)(H,15,17,19).
What are the key properties of N-(4-fluorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide has a molecular weight of 294.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 23605430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).