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

C15H20N4OS — CID 103223452

IUPAC5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
SMILESCN(CCN)c1cnn(CCSc2ccccc2)c(=O)c1
InChIInChI=1S/C15H20N4OS/c1-18(8-7-16)13-11-15(20)19(17-12-13)9-10-21-14-5-3-2-4-6-14/h2-6,11-12H,7-10,16H2,1H3
InChIKeySPHYLNSLELLUOL-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.43
Rot. Bonds7

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

5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one (PubChem CID 103223452) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
PubChem CID103223452
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
SMILESCN(CCN)c1cnn(CCSc2ccccc2)c(=O)c1
InChIInChI=1S/C15H20N4OS/c1-18(8-7-16)13-11-15(20)19(17-12-13)9-10-21-14-5-3-2-4-6-14/h2-6,11-12H,7-10,16H2,1H3
InChIKeySPHYLNSLELLUOL-UHFFFAOYSA-N
XLogP1.43
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one (CID 103223452) is 5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one is CN(CCN)c1cnn(CCSc2ccccc2)c(=O)c1.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The InChIKey is SPHYLNSLELLUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-18(8-7-16)13-11-15(20)19(17-12-13)9-10-21-14-5-3-2-4-6-14/h2-6,11-12H,7-10,16H2,1H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one has a molecular weight of 304.42 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 103223452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).