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

C14H16N4O2S — CID 135427605

IUPACN-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1-c1nnc(SC)[nH]c1=O
InChIInChI=1S/C14H16N4O2S/c1-3-6-11(19)15-10-8-5-4-7-9(10)12-13(20)16-14(21-2)18-17-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyNHMDNQAZNVIKSP-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.29
Rot. Bonds5

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

N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide (PubChem CID 135427605) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide
PubChem CID135427605
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1-c1nnc(SC)[nH]c1=O
InChIInChI=1S/C14H16N4O2S/c1-3-6-11(19)15-10-8-5-4-7-9(10)12-13(20)16-14(21-2)18-17-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyNHMDNQAZNVIKSP-UHFFFAOYSA-N
XLogP2.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.29
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
N-{2-[5-Hydroxy-3-(pentylsulfanyl)-1,2,4-triazin-6-YL]phenyl}acetamide
CID 135460602
N-{2-[3-(allylthio)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}propanamide
CID 135406746
6-(2-Aminophenyl)-3-(propylthio)-1,2,4-triazin-5(4H)-one
CID 135449242
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
6-[2-[[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]phenyl]-3-methylsulfanyl-2H-1,2,4-triazin-5-one
CID 135435648
N-(2,6-dimethylphenyl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135437936
2-(5-Hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-N-o-tolyl-acetamide
CID 135437943
N-{2-[3-(ethylthio)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}acetamide
CID 135467358
6-(2-aminophenyl)-3-(ethylthio)-1,2,4-triazin-5(4H)-one
CID 135470833
6-(2-Aminophenyl)-3-(heptylthio)-1,2,4-triazin-5-ol
CID 135472747

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide?
The IUPAC name of N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide (CID 135427605) is N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide.
What is the SMILES notation for N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide?
The canonical SMILES for N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide is CCCC(=O)Nc1ccccc1-c1nnc(SC)[nH]c1=O.
What is the InChIKey of N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide?
The InChIKey is NHMDNQAZNVIKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-3-6-11(19)15-10-8-5-4-7-9(10)12-13(20)16-14(21-2)18-17-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,19)(H,16,18,20).
What are the key properties of N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide?
N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide has a molecular weight of 304.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]butanamide is sourced from PubChem (CID 135427605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).