2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C14H26N4O2 — CID 114394754

IUPAC2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCCNC(C)CCn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C14H26N4O2/c1-5-15-12(2)6-7-18-14(19)10-13(11-16-18)17(3)8-9-20-4/h10-12,15H,5-9H2,1-4H3
InChIKeyIYHSGBZIRVXOQQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.71
Rot. Bonds9

About 2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 114394754) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID114394754
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCCNC(C)CCn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C14H26N4O2/c1-5-15-12(2)6-7-18-14(19)10-13(11-16-18)17(3)8-9-20-4/h10-12,15H,5-9H2,1-4H3
InChIKeyIYHSGBZIRVXOQQ-UHFFFAOYSA-N
XLogP0.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394811
2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396760
2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114397564
2-[2-(2-chloroethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394318
2-[2-(2-aminoethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103482433
2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396159
2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114393723
3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
CID 114395681
2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396847
6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid
CID 114393962
4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide
CID 114398501
5-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanenitrile
CID 114395684

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 114394754) is 2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is CCNC(C)CCn1ncc(N(C)CCOC)cc1=O.
What is the InChIKey of 2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is IYHSGBZIRVXOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-15-12(2)6-7-18-14(19)10-13(11-16-18)17(3)8-9-20-4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 282.39 g/mol, XLogP of 0.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114394754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).