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

C12H11F2N5O2S — CID 7196649

IUPAC2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(F)cc2F)n(N)c1=O
InChIInChI=1S/C12H11F2N5O2S/c1-6-11(21)19(15)12(18-17-6)22-5-10(20)16-9-3-2-7(13)4-8(9)14/h2-4H,5,15H2,1H3,(H,16,20)
InChIKeyOPZIAIYXCRTTEY-UHFFFAOYSA-N
MW327.32 g/mol
LogP0.67
Rot. Bonds4

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

2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 7196649) has the molecular formula C12H11F2N5O2S and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
PubChem CID7196649
Molecular FormulaC12H11F2N5O2S
Molecular Weight327.32 g/mol
Exact Mass327.06
IUPAC Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(F)cc2F)n(N)c1=O
InChIInChI=1S/C12H11F2N5O2S/c1-6-11(21)19(15)12(18-17-6)22-5-10(20)16-9-3-2-7(13)4-8(9)14/h2-4H,5,15H2,1H3,(H,16,20)
InChIKeyOPZIAIYXCRTTEY-UHFFFAOYSA-N
XLogP0.67
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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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-((4-Amino-4,5-dihydro-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide
CID 853533
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
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-butylphenyl)acetamide
CID 7196642
N-(2-Fluorophenyl)-2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]acetamide
CID 20961812

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide (CID 7196649) is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide is Cc1nnc(SCC(=O)Nc2ccc(F)cc2F)n(N)c1=O.
What is the InChIKey of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is OPZIAIYXCRTTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5O2S/c1-6-11(21)19(15)12(18-17-6)22-5-10(20)16-9-3-2-7(13)4-8(9)14/h2-4H,5,15H2,1H3,(H,16,20).
What are the key properties of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide?
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 327.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 7196649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).