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

C11H11N3OS — CID 560500

IUPAC2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one
SMILESCSc1nc(=O)c(-c2ccccc2)nn1C
InChIInChI=1S/C11H11N3OS/c1-14-11(16-2)12-10(15)9(13-14)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyRUJNAAFXBBNNAX-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.56
Rot. Bonds2

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

2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one (PubChem CID 560500) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one
PubChem CID560500
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one
SMILESCSc1nc(=O)c(-c2ccccc2)nn1C
InChIInChI=1S/C11H11N3OS/c1-14-11(16-2)12-10(15)9(13-14)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyRUJNAAFXBBNNAX-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

3-methyl-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 976285
3-(Methylsulfanyl)-6-phenyl-1,2,4-triazin-5(2H)-one
CID 135450607
6-Phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 13169728
4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one
CID 560485
7-Methylsulfanyl-3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 45106417
Bay-79758
CID 12295785
2-Amino-3-methylthio-6-(p-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazine
CID 15586997
2-Amino-3-dimethylamino-6-(p-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazine
CID 15586999
6-(4-Fluorophenyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one
CID 135604596
2-Methyl-3-methoxy-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine
CID 544892
2-(Dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one
CID 12733825
Amino-6-phenyl-1,7-dihydro[1,2,4]triazolo[4,3-b][1,2,4] triazin-7-one
CID 129751061

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one?
The IUPAC name of 2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one (CID 560500) is 2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one?
The canonical SMILES for 2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one is CSc1nc(=O)c(-c2ccccc2)nn1C.
What is the InChIKey of 2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one?
The InChIKey is RUJNAAFXBBNNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-14-11(16-2)12-10(15)9(13-14)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one?
2-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 2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one is sourced from PubChem (CID 560500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).