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

C16H22N4O — CID 114394810

IUPAC2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CC(N)c2cccc(C)c2)c(=O)c1
InChIInChI=1S/C16H22N4O/c1-4-19(3)14-9-16(21)20(18-10-14)11-15(17)13-7-5-6-12(2)8-13/h5-10,15H,4,11,17H2,1-3H3
InChIKeyLGHNCHLGNIENAP-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.71
Rot. Bonds5

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

2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114394810) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114394810
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CC(N)c2cccc(C)c2)c(=O)c1
InChIInChI=1S/C16H22N4O/c1-4-19(3)14-9-16(21)20(18-10-14)11-15(17)13-7-5-6-12(2)8-13/h5-10,15H,4,11,17H2,1-3H3
InChIKeyLGHNCHLGNIENAP-UHFFFAOYSA-N
XLogP1.71
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393745
5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 114394819
2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114394568
2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393747
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
CID 114395697
2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394815
5-[2-aminoethyl(methyl)amino]-2-[(3-methylphenyl)methyl]pyridazin-3-one
CID 103223402
2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548613
2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393582
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
CID 114395814
5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
2-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114394810) is 2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(CC(N)c2cccc(C)c2)c(=O)c1.
What is the InChIKey of 2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is LGHNCHLGNIENAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-19(3)14-9-16(21)20(18-10-14)11-15(17)13-7-5-6-12(2)8-13/h5-10,15H,4,11,17H2,1-3H3.
What are the key properties of 2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 286.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114394810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).