5-morpholin-4-yl-2-(4-oxohexyl)pyridazin-3-one

C14H21N3O3 — CID 106801874

IUPAC5-morpholin-4-yl-2-(4-oxohexyl)pyridazin-3-one
SMILESCCC(=O)CCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H21N3O3/c1-2-13(18)4-3-5-17-14(19)10-12(11-15-17)16-6-8-20-9-7-16/h10-11H,2-9H2,1H3
InChIKeyNTNLJBLLSKIGRU-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.84
Rot. Bonds6

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

5-morpholin-4-yl-2-(4-oxohexyl)pyridazin-3-one (PubChem CID 106801874) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-(4-oxohexyl)pyridazin-3-one.

Molecular Properties

Compound Name5-morpholin-4-yl-2-(4-oxohexyl)pyridazin-3-one
PubChem CID106801874
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-morpholin-4-yl-2-(4-oxohexyl)pyridazin-3-one
SMILESCCC(=O)CCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H21N3O3/c1-2-13(18)4-3-5-17-14(19)10-12(11-15-17)16-6-8-20-9-7-16/h10-11H,2-9H2,1H3
InChIKeyNTNLJBLLSKIGRU-UHFFFAOYSA-N
XLogP0.84
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
2-(2-ethylbutyl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 56912171
2-Methyl-5-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202128
5-[4-(morpholinocarbonyl)piperidino]-2-propyl-3(2H)-pyridazinone
CID 53202212
2-(2-ethoxyethyl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 56900434
5-morpholin-4-yl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridazin-3(2H)-one
CID 72893726
2-(1,4-dioxan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3(2H)-one
CID 72934854
"2-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-3-piperidyl}-N-methyl-N-propylacetamide"
CID 91917515
2-[[(2R)-1,4-dioxan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97209570
2-[[(2S)-1,4-dioxan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97209571
2-[2-(2-Aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 103482431
2-[2-(2-Aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
CID 103482438

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-(4-oxohexyl)pyridazin-3-one?
The IUPAC name of 5-morpholin-4-yl-2-(4-oxohexyl)pyridazin-3-one (CID 106801874) is 5-morpholin-4-yl-2-(4-oxohexyl)pyridazin-3-one.
What is the SMILES notation for 5-morpholin-4-yl-2-(4-oxohexyl)pyridazin-3-one?
The canonical SMILES for 5-morpholin-4-yl-2-(4-oxohexyl)pyridazin-3-one is CCC(=O)CCCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 5-morpholin-4-yl-2-(4-oxohexyl)pyridazin-3-one?
The InChIKey is NTNLJBLLSKIGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-13(18)4-3-5-17-14(19)10-12(11-15-17)16-6-8-20-9-7-16/h10-11H,2-9H2,1H3.
What are the key properties of 5-morpholin-4-yl-2-(4-oxohexyl)pyridazin-3-one?
5-morpholin-4-yl-2-(4-oxohexyl)pyridazin-3-one has a molecular weight of 279.34 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-(4-oxohexyl)pyridazin-3-one is sourced from PubChem (CID 106801874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).