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

C16H22N4O — CID 114394819

IUPAC5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
SMILESCCN(C)c1cnn(CC(NC)c2ccccc2)c(=O)c1
InChIInChI=1S/C16H22N4O/c1-4-19(3)14-10-16(21)20(18-11-14)12-15(17-2)13-8-6-5-7-9-13/h5-11,15,17H,4,12H2,1-3H3
InChIKeyYQBHXUIXBBVLPH-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.66
Rot. Bonds6

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

5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one (PubChem CID 114394819) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
PubChem CID114394819
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
SMILESCCN(C)c1cnn(CC(NC)c2ccccc2)c(=O)c1
InChIInChI=1S/C16H22N4O/c1-4-19(3)14-10-16(21)20(18-11-14)12-15(17-2)13-8-6-5-7-9-13/h5-11,15,17H,4,12H2,1-3H3
InChIKeyYQBHXUIXBBVLPH-UHFFFAOYSA-N
XLogP1.66
TPSA50.16 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 ≤ 51.66
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
2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 62851014
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
6-methyl-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 62923540
2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393582
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
5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one
CID 103057777
2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397276
2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394811
4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-methylbut-2-enoic acid
CID 104920891

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one?
The IUPAC name of 5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one (CID 114394819) is 5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one is CCN(C)c1cnn(CC(NC)c2ccccc2)c(=O)c1.
What is the InChIKey of 5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one?
The InChIKey is YQBHXUIXBBVLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-19(3)14-10-16(21)20(18-11-14)12-15(17-2)13-8-6-5-7-9-13/h5-11,15,17H,4,12H2,1-3H3.
What are the key properties of 5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one?
5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one has a molecular weight of 286.38 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one is sourced from PubChem (CID 114394819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).