2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one

C15H22N4O2 — CID 114397748

IUPAC2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CCNCc2ccco2)c(=O)c1
InChIInChI=1S/C15H22N4O2/c1-3-7-18(2)13-10-15(20)19(17-11-13)8-6-16-12-14-5-4-9-21-14/h4-5,9-11,16H,3,6-8,12H2,1-2H3
InChIKeyKICDAZRFQDZUAP-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.47
Rot. Bonds8

About 2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one

2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 114397748) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID114397748
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CCNCc2ccco2)c(=O)c1
InChIInChI=1S/C15H22N4O2/c1-3-7-18(2)13-10-15(20)19(17-11-13)8-6-16-12-14-5-4-9-21-14/h4-5,9-11,16H,3,6-8,12H2,1-2H3
InChIKeyKICDAZRFQDZUAP-UHFFFAOYSA-N
XLogP1.47
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.47
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-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397633
2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one
CID 62562619
2-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397656
5-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 114394123
2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397146
N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 62580322
5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62567120
2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393779
N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62559417
5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223452

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one (CID 114397748) is 2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one is CCCN(C)c1cnn(CCNCc2ccco2)c(=O)c1.
What is the InChIKey of 2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is KICDAZRFQDZUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-7-18(2)13-10-15(20)19(17-11-13)8-6-16-12-14-5-4-9-21-14/h4-5,9-11,16H,3,6-8,12H2,1-2H3.
What are the key properties of 2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 290.37 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-ylmethylamino)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 114397748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).