2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one

C16H22N4O — CID 114393745

IUPAC2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CC(CN)c2ccccc2)c(=O)c1
InChIInChI=1S/C16H22N4O/c1-3-19(2)15-9-16(21)20(18-11-15)12-14(10-17)13-7-5-4-6-8-13/h4-9,11,14H,3,10,12,17H2,1-2H3
InChIKeyRANDOQPOOWDOEM-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.44
Rot. Bonds6

About 2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one

2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114393745) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114393745
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CC(CN)c2ccccc2)c(=O)c1
InChIInChI=1S/C16H22N4O/c1-3-19(2)15-9-16(21)20(18-11-15)12-14(10-17)13-7-5-4-6-8-13/h4-9,11,14H,3,10,12,17H2,1-2H3
InChIKeyRANDOQPOOWDOEM-UHFFFAOYSA-N
XLogP1.44
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 114394819
2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394810
2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393747
2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanamide
CID 114394012
5-[ethyl(methyl)amino]-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114399054
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
CID 114395697
2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393582
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394815
2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393779
5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223452
2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
CID 114395440

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114393745) is 2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(CC(CN)c2ccccc2)c(=O)c1.
What is the InChIKey of 2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is RANDOQPOOWDOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-19(2)15-9-16(21)20(18-11-15)12-14(10-17)13-7-5-4-6-8-13/h4-9,11,14H,3,10,12,17H2,1-2H3.
What are the key properties of 2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 286.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114393745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).