6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one

C18H15N3O2S — CID 135445824

IUPAC6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(SC(C(=O)c2ccccc2)c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H15N3O2S/c1-12-17(23)19-18(21-20-12)24-16(14-10-6-3-7-11-14)15(22)13-8-4-2-5-9-13/h2-11,16H,1H3,(H,19,21,23)
InChIKeyLEYVNKNHPAZMFW-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.19
Rot. Bonds5

About 6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one

6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one (PubChem CID 135445824) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one
PubChem CID135445824
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(SC(C(=O)c2ccccc2)c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H15N3O2S/c1-12-17(23)19-18(21-20-12)24-16(14-10-6-3-7-11-14)15(22)13-8-4-2-5-9-13/h2-11,16H,1H3,(H,19,21,23)
InChIKeyLEYVNKNHPAZMFW-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one (CID 135445824) is 6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one is Cc1nnc(SC(C(=O)c2ccccc2)c2ccccc2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one?
The InChIKey is LEYVNKNHPAZMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-12-17(23)19-18(21-20-12)24-16(14-10-6-3-7-11-14)15(22)13-8-4-2-5-9-13/h2-11,16H,1H3,(H,19,21,23).
What are the key properties of 6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one?
6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one has a molecular weight of 337.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135445824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).