4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one

C11H11N3OS — CID 560485

IUPAC4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one
SMILESCSc1nnc(-c2ccccc2)c(=O)n1C
InChIInChI=1S/C11H11N3OS/c1-14-10(15)9(12-13-11(14)16-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyWYTAHFNZFZAURU-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.56
Rot. Bonds2

About 4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one

4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one (PubChem CID 560485) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one
PubChem CID560485
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one
SMILESCSc1nnc(-c2ccccc2)c(=O)n1C
InChIInChI=1S/C11H11N3OS/c1-14-10(15)9(12-13-11(14)16-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyWYTAHFNZFZAURU-UHFFFAOYSA-N
XLogP1.56
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Phenyl-3-(2-propyn-1-ylthio)-1,2,4-triazin-5-ol
CID 135420625
3-(Methylsulfanyl)-6-phenyl-1,2,4-triazin-5(2H)-one
CID 135450607
3-Benzylsulfanyl-6-phenyl-4H-[1,2,4]triazin-5-one
CID 135430115
6-Benzyl-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
CID 135479640
7-Methylsulfanyl-3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 45106417
3-Phenyl-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
CID 13169722
2-diazo-2-(p-methylphenyl)-N,N-dimethylacetamide
CID 137082401
Bay-79758
CID 12295785
4-Amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one
CID 13458086
6-(4-Fluorophenyl)-3-methylsulfanyl-4-piperidin-1-yl-1,2,4-triazin-5-one
CID 53991380
6-(4-Fluorophenyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one
CID 135604596
2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine
CID 560500

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one?
The IUPAC name of 4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one (CID 560485) is 4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one is CSc1nnc(-c2ccccc2)c(=O)n1C.
What is the InChIKey of 4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one?
The InChIKey is WYTAHFNZFZAURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-14-10(15)9(12-13-11(14)16-2)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one?
4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one has a molecular weight of 233.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one is sourced from PubChem (CID 560485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).