5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one

C13H22N4O3 — CID 103223055

IUPAC5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCC(N)COc1cnn(CC2CN(C)CCO2)c(=O)c1
InChIInChI=1S/C13H22N4O3/c1-10(14)9-20-11-5-13(18)17(15-6-11)8-12-7-16(2)3-4-19-12/h5-6,10,12H,3-4,7-9,14H2,1-2H3
InChIKeyZBHDRTGXVOKSQQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.70
Rot. Bonds5

About 5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one

5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one (PubChem CID 103223055) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
PubChem CID103223055
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCC(N)COc1cnn(CC2CN(C)CCO2)c(=O)c1
InChIInChI=1S/C13H22N4O3/c1-10(14)9-20-11-5-13(18)17(15-6-11)8-12-7-16(2)3-4-19-12/h5-6,10,12H,3-4,7-9,14H2,1-2H3
InChIKeyZBHDRTGXVOKSQQ-UHFFFAOYSA-N
XLogP-0.70
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one (CID 103223055) is 5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one is CC(N)COc1cnn(CC2CN(C)CCO2)c(=O)c1.
What is the InChIKey of 5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one?
The InChIKey is ZBHDRTGXVOKSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-10(14)9-20-11-5-13(18)17(15-6-11)8-12-7-16(2)3-4-19-12/h5-6,10,12H,3-4,7-9,14H2,1-2H3.
What are the key properties of 5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one?
5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one has a molecular weight of 282.34 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103223055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).