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

C15H28N4O — CID 114394811

IUPAC2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCNC(C)CCCCn1ncc(N(C)CC)cc1=O
InChIInChI=1S/C15H28N4O/c1-5-16-13(3)9-7-8-10-19-15(20)11-14(12-17-19)18(4)6-2/h11-13,16H,5-10H2,1-4H3
InChIKeyJLWOCXJGALCZHW-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.87
Rot. Bonds9

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

2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114394811) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114394811
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCNC(C)CCCCn1ncc(N(C)CC)cc1=O
InChIInChI=1S/C15H28N4O/c1-5-16-13(3)9-7-8-10-19-15(20)11-14(12-17-19)18(4)6-2/h11-13,16H,5-10H2,1-4H3
InChIKeyJLWOCXJGALCZHW-UHFFFAOYSA-N
XLogP1.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326
2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394754
5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one
CID 114396211
2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394815
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 114394941
2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397656
5-[ethyl(methyl)amino]-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114399054
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
CID 114395697
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
CID 114395814

Frequently Asked Questions

What is the IUPAC name of 2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114394811) is 2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCNC(C)CCCCn1ncc(N(C)CC)cc1=O.
What is the InChIKey of 2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is JLWOCXJGALCZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-16-13(3)9-7-8-10-19-15(20)11-14(12-17-19)18(4)6-2/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 280.42 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114394811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).