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

C15H18N4O2S — CID 135425360

IUPACN-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1-c1nnc(SCC)[nH]c1=O
InChIInChI=1S/C15H18N4O2S/c1-3-7-12(20)16-11-9-6-5-8-10(11)13-14(21)17-15(19-18-13)22-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyPZCINJHXGXIOMO-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.68
Rot. Bonds6

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

N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide (PubChem CID 135425360) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide
PubChem CID135425360
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1-c1nnc(SCC)[nH]c1=O
InChIInChI=1S/C15H18N4O2S/c1-3-7-12(20)16-11-9-6-5-8-10(11)13-14(21)17-15(19-18-13)22-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyPZCINJHXGXIOMO-UHFFFAOYSA-N
XLogP2.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.68
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-[(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-((4-Amino-4,5-dihydro-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide
CID 853533
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-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-butylphenyl)acetamide
CID 7196642
2-({4-amino-6-[(4-methylphenyl)methyl]-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]butanamide?
The IUPAC name of N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide (CID 135425360) is N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide.
What is the SMILES notation for N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide?
The canonical SMILES for N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide is CCCC(=O)Nc1ccccc1-c1nnc(SCC)[nH]c1=O.
What is the InChIKey of N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide?
The InChIKey is PZCINJHXGXIOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-3-7-12(20)16-11-9-6-5-8-10(11)13-14(21)17-15(19-18-13)22-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,20)(H,17,19,21).
What are the key properties of N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide?
N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide has a molecular weight of 318.40 g/mol, XLogP of 2.68, 6 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]butanamide is sourced from PubChem (CID 135425360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).