N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide

C13H14N4O2S — CID 135467358

IUPACN-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide
SMILESCCSc1nnc(-c2ccccc2NC(C)=O)c(=O)[nH]1
InChIInChI=1S/C13H14N4O2S/c1-3-20-13-15-12(19)11(16-17-13)9-6-4-5-7-10(9)14-8(2)18/h4-7H,3H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyFKEKOBSQBLJZHD-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.90
Rot. Bonds4

About N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide

N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide (PubChem CID 135467358) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide
PubChem CID135467358
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide
SMILESCCSc1nnc(-c2ccccc2NC(C)=O)c(=O)[nH]1
InChIInChI=1S/C13H14N4O2S/c1-3-20-13-15-12(19)11(16-17-13)9-6-4-5-7-10(9)14-8(2)18/h4-7H,3H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyFKEKOBSQBLJZHD-UHFFFAOYSA-N
XLogP1.90
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.90
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-methylphenyl)acetamide
CID 7196636
2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 7197225
N-{2-[5-Hydroxy-3-(pentylsulfanyl)-1,2,4-triazin-6-YL]phenyl}acetamide
CID 135460602
2-[(6-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135398997
N-{2-[3-(allylthio)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}propanamide
CID 135406746
N-{2-[5-hydroxy-3-(methylsulfanyl)-1,2,4-triazin-6-yl]phenyl}butanamide
CID 135427605
6-(2-Aminophenyl)-3-(propylthio)-1,2,4-triazin-5(4H)-one
CID 135449242
2-{[4-amino-6-(4-methylbenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-phenylacetamide
CID 18580758
N-{2-[3-(ethylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}propanamide
CID 135428287
6-(2-Aminophenyl)-3-[(4-methylbenzyl)thio]-1,2,4-triazin-5-ol
CID 135431162
4-({2-[3-(allylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]anilino}methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 135435649

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide?
The IUPAC name of N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide (CID 135467358) is N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide is CCSc1nnc(-c2ccccc2NC(C)=O)c(=O)[nH]1.
What is the InChIKey of N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide?
The InChIKey is FKEKOBSQBLJZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-3-20-13-15-12(19)11(16-17-13)9-6-4-5-7-10(9)14-8(2)18/h4-7H,3H2,1-2H3,(H,14,18)(H,15,17,19).
What are the key properties of N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide?
N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide has a molecular weight of 290.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 135467358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).