5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one

C21H23N3OS — CID 56909974

IUPAC5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
SMILESCN(CCc1ccccc1)c1cnn(CCSc2ccccc2)c(=O)c1
InChIInChI=1S/C21H23N3OS/c1-23(13-12-18-8-4-2-5-9-18)19-16-21(25)24(22-17-19)14-15-26-20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3
InChIKeyKPSIUELAGWBSLJ-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.71
Rot. Bonds8

About 5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one

5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one (PubChem CID 56909974) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
PubChem CID56909974
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
SMILESCN(CCc1ccccc1)c1cnn(CCSc2ccccc2)c(=O)c1
InChIInChI=1S/C21H23N3OS/c1-23(13-12-18-8-4-2-5-9-18)19-16-21(25)24(22-17-19)14-15-26-20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3
InChIKeyKPSIUELAGWBSLJ-UHFFFAOYSA-N
XLogP3.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The IUPAC name of 5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one (CID 56909974) is 5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The canonical SMILES for 5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one is CN(CCc1ccccc1)c1cnn(CCSc2ccccc2)c(=O)c1.
What is the InChIKey of 5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The InChIKey is KPSIUELAGWBSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-23(13-12-18-8-4-2-5-9-18)19-16-21(25)24(22-17-19)14-15-26-20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3.
What are the key properties of 5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one?
5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one has a molecular weight of 365.50 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 56909974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).