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

C14H24N4O3 — CID 103223272

IUPAC5-(3-aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCCN1CCOC(Cn2ncc(OCCCN)cc2=O)C1
InChIInChI=1S/C14H24N4O3/c1-2-17-5-7-21-13(10-17)11-18-14(19)8-12(9-16-18)20-6-3-4-15/h8-9,13H,2-7,10-11,15H2,1H3
InChIKeyPTSMNNCNCRBNDQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.31
Rot. Bonds7

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

5-(3-aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one (PubChem CID 103223272) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(3-aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(3-aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
PubChem CID103223272
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name5-(3-aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCCN1CCOC(Cn2ncc(OCCCN)cc2=O)C1
InChIInChI=1S/C14H24N4O3/c1-2-17-5-7-21-13(10-17)11-18-14(19)8-12(9-16-18)20-6-3-4-15/h8-9,13H,2-7,10-11,15H2,1H3
InChIKeyPTSMNNCNCRBNDQ-UHFFFAOYSA-N
XLogP-0.31
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
CID 114386480
5-(2-aminoethoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
CID 103222865
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408
5-(2-aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
2-[(4-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
CID 103218116
2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid
CID 79172074
5-(2-aminoethyl)-1-[(4-ethylmorpholin-2-yl)methyl]triazole-4-carboxylic acid
CID 103119379
2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
CID 103223192
1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one
CID 116618394
5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
CID 103223290
(2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine
CID 95766645
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 79165951

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(3-aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one (CID 103223272) is 5-(3-aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(3-aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(3-aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one is CCN1CCOC(Cn2ncc(OCCCN)cc2=O)C1.
What is the InChIKey of 5-(3-aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one?
The InChIKey is PTSMNNCNCRBNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-2-17-5-7-21-13(10-17)11-18-14(19)8-12(9-16-18)20-6-3-4-15/h8-9,13H,2-7,10-11,15H2,1H3.
What are the key properties of 5-(3-aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one?
5-(3-aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one has a molecular weight of 296.37 g/mol, XLogP of -0.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103223272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).