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

C15H20N4O — CID 114393582

IUPAC2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCc2ccccc2N)c(=O)c1
InChIInChI=1S/C15H20N4O/c1-3-18(2)13-10-15(20)19(17-11-13)9-8-12-6-4-5-7-14(12)16/h4-7,10-11H,3,8-9,16H2,1-2H3
InChIKeyLCHVTBTVLLQEGZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.52
Rot. Bonds5

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

2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114393582) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114393582
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCc2ccccc2N)c(=O)c1
InChIInChI=1S/C15H20N4O/c1-3-18(2)13-10-15(20)19(17-11-13)9-8-12-6-4-5-7-14(12)16/h4-7,10-11H,3,8-9,16H2,1-2H3
InChIKeyLCHVTBTVLLQEGZ-UHFFFAOYSA-N
XLogP1.52
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
CID 114395814
5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one
CID 114396211
5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393745
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393589
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 114394819
2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanamide
CID 114394012
2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394810
5-[ethyl(methyl)amino]-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114399054
5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one
CID 103061659

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114393582) is 2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(CCc2ccccc2N)c(=O)c1.
What is the InChIKey of 2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is LCHVTBTVLLQEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-18(2)13-10-15(20)19(17-11-13)9-8-12-6-4-5-7-14(12)16/h4-7,10-11H,3,8-9,16H2,1-2H3.
What are the key properties of 2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 272.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114393582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).