5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one

C15H24N4O2 — CID 103073058

IUPAC5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNCCC)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C15H24N4O2/c1-3-4-16-10-13(2)12-19-15(20)9-14(11-17-19)18-5-7-21-8-6-18/h9,11,16H,2-8,10,12H2,1H3
InChIKeyLQZXWKQZLSKUKH-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.64
Rot. Bonds7

About 5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one

5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one (PubChem CID 103073058) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
PubChem CID103073058
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNCCC)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C15H24N4O2/c1-3-4-16-10-13(2)12-19-15(20)9-14(11-17-19)18-5-7-21-8-6-18/h9,11,16H,2-8,10,12H2,1H3
InChIKeyLQZXWKQZLSKUKH-UHFFFAOYSA-N
XLogP0.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butyl)-N'-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}urea
CID 70717227
Propyl {2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}carbamate
CID 70730611
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
N-(2-methoxyethyl)-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-3-carboxamide
CID 53203959
1-methyl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}cyclopropanecarboxamide
CID 56885150
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
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2-methylbutanamide
CID 91911848
2-Ethyl-N-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}butanamide
CID 91911849
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
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2-methylpropanamide
CID 91924078

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one (CID 103073058) is 5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one is C=C(CNCCC)Cn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is LQZXWKQZLSKUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-4-16-10-13(2)12-19-15(20)9-14(11-17-19)18-5-7-21-8-6-18/h9,11,16H,2-8,10,12H2,1H3.
What are the key properties of 5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one?
5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103073058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).