2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one

C15H28N4O2 — CID 114397656

IUPAC2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCOCCCCNCCn1ncc(N(C)CC)cc1=O
InChIInChI=1S/C15H28N4O2/c1-4-18(3)14-12-15(20)19(17-13-14)10-9-16-8-6-7-11-21-5-2/h12-13,16H,4-11H2,1-3H3
InChIKeyMRHFBTMHYFKZTD-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.11
Rot. Bonds11

About 2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one

2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114397656) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114397656
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCOCCCCNCCn1ncc(N(C)CC)cc1=O
InChIInChI=1S/C15H28N4O2/c1-4-18(3)14-12-15(20)19(17-13-14)10-9-16-8-6-7-11-21-5-2/h12-13,16H,4-11H2,1-3H3
InChIKeyMRHFBTMHYFKZTD-UHFFFAOYSA-N
XLogP1.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114397564
5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326
5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397633
2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394811
5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394971
5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one
CID 114396211
2-[2-(4-ethoxybutylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62564723
2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114397665
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
CID 114395814

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114397656) is 2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCOCCCCNCCn1ncc(N(C)CC)cc1=O.
What is the InChIKey of 2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is MRHFBTMHYFKZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-4-18(3)14-12-15(20)19(17-13-14)10-9-16-8-6-7-11-21-5-2/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 296.42 g/mol, XLogP of 1.11, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114397656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).