5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one

C14H24N4O3 — CID 103222736

IUPAC5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCC(C)N1CCOC(Cn2ncc(OCCN)cc2=O)C1
InChIInChI=1S/C14H24N4O3/c1-11(2)17-4-6-21-13(9-17)10-18-14(19)7-12(8-16-18)20-5-3-15/h7-8,11,13H,3-6,9-10,15H2,1-2H3
InChIKeyXVBFNFGKXHITIN-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.31
Rot. Bonds6

About 5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one

5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one (PubChem CID 103222736) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
PubChem CID103222736
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCC(C)N1CCOC(Cn2ncc(OCCN)cc2=O)C1
InChIInChI=1S/C14H24N4O3/c1-11(2)17-4-6-21-13(9-17)10-18-14(19)7-12(8-16-18)20-5-3-15/h7-8,11,13H,3-6,9-10,15H2,1-2H3
InChIKeyXVBFNFGKXHITIN-UHFFFAOYSA-N
XLogP-0.31
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(2-Aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
CID 56881771
5-{2-[2-(isopropylamino)ethyl]-4-morpholinyl}-2-methyl-3(2H)-pyridazinone
CID 70748855
2-methyl-5-[(2R)-2-[2-(propan-2-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one
CID 96394278
2-methyl-5-[(2S)-2-[2-(propan-2-ylamino)ethyl]morpholin-4-yl]pyridazin-3-one
CID 96394279
5-Morpholin-4-yl-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
CID 103073059
5-Amino-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
CID 103218371
5-Amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
CID 103218382
5-(Methylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
CID 103218545
2-[(4-Ethylmorpholin-2-yl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218706
5-(Ethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
CID 103218962
5-(Ethylamino)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
CID 103219133
5-(Ethylamino)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
CID 103219147

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one (CID 103222736) is 5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one is CC(C)N1CCOC(Cn2ncc(OCCN)cc2=O)C1.
What is the InChIKey of 5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
The InChIKey is XVBFNFGKXHITIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-11(2)17-4-6-21-13(9-17)10-18-14(19)7-12(8-16-18)20-5-3-15/h7-8,11,13H,3-6,9-10,15H2,1-2H3.
What are the key properties of 5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one has a molecular weight of 296.37 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103222736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).