2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one

C13H20N4O3 — CID 103220172

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CC(=O)N2CCOCC2)c(=O)c1
InChIInChI=1S/C13H20N4O3/c1-2-3-14-11-8-12(18)17(15-9-11)10-13(19)16-4-6-20-7-5-16/h8-9,14H,2-7,10H2,1H3
InChIKeyNPMAEWVKVBWERX-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.08
Rot. Bonds5

About 2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one

2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one (PubChem CID 103220172) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one
PubChem CID103220172
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CC(=O)N2CCOCC2)c(=O)c1
InChIInChI=1S/C13H20N4O3/c1-2-3-14-11-8-12(18)17(15-9-11)10-13(19)16-4-6-20-7-5-16/h8-9,14H,2-7,10H2,1H3
InChIKeyNPMAEWVKVBWERX-UHFFFAOYSA-N
XLogP-0.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
2-[2-[2-(Aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
CID 72893567
2-[4-[2-(2-aminoethyl)-4-morpholinyl]-6-oxo-1(6H)-pyridazinyl]-N-ethyl-N-methylacetamide
CID 56892429
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(4-morpholinyl)acetamide
CID 70715217
2-Ethoxy-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924030
2-Ethoxy-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924055
2-(Dimethylamino)-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924057
5-[2-Aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223513
5-[2-(Methylamino)ethylamino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223724
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one
CID 114393531
Ethyl 2-fluoro-2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate
CID 114393937
5-Morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397510

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one (CID 103220172) is 2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one is CCCNc1cnn(CC(=O)N2CCOCC2)c(=O)c1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one?
The InChIKey is NPMAEWVKVBWERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-3-14-11-8-12(18)17(15-9-11)10-13(19)16-4-6-20-7-5-16/h8-9,14H,2-7,10H2,1H3.
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one?
2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one has a molecular weight of 280.33 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).