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

C12H10F2N4O2S — CID 135467324

IUPACN-(3,4-difluorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)[nH]c1=O
InChIInChI=1S/C12H10F2N4O2S/c1-6-11(20)16-12(18-17-6)21-5-10(19)15-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyXCDNKOGHWXANKV-UHFFFAOYSA-N
MW312.30 g/mol
LogP1.48
Rot. Bonds4

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

N-(3,4-difluorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 135467324) has the molecular formula C12H10F2N4O2S and a molecular weight of 312.30 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID135467324
Molecular FormulaC12H10F2N4O2S
Molecular Weight312.30 g/mol
Exact Mass312.05
IUPAC NameN-(3,4-difluorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)[nH]c1=O
InChIInChI=1S/C12H10F2N4O2S/c1-6-11(20)16-12(18-17-6)21-5-10(19)15-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyXCDNKOGHWXANKV-UHFFFAOYSA-N
XLogP1.48
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419165
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 2388776
2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
CID 7196632
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 7196636
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-fluorophenyl)acetamide
CID 7196648
2-[2-(2-cycloheptylidenehydrazinyl)-4-oxo-1,3-thiazol-5-yl]-N-(2-fluorophenyl)acetamide
CID 135735433
2-[(6-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135398997
2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 137241419
2-(5-Hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-N-phenyl-acetamide
CID 135441944
N-(2,4-difluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7183954
N-(2-Fluorophenyl)-2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]acetamide
CID 20961812
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
CID 42739082

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 135467324) is N-(3,4-difluorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)[nH]c1=O.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is XCDNKOGHWXANKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O2S/c1-6-11(20)16-12(18-17-6)21-5-10(19)15-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3,(H,15,19)(H,16,18,20).
What are the key properties of N-(3,4-difluorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-(3,4-difluorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 312.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 135467324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).