5-morpholin-4-yl-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one

C15H24N4O2 — CID 103073059

IUPAC5-morpholin-4-yl-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC(C)C)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C15H24N4O2/c1-12(2)16-9-13(3)11-19-15(20)8-14(10-17-19)18-4-6-21-7-5-18/h8,10,12,16H,3-7,9,11H2,1-2H3
InChIKeyVMBNUDZWTYFLAT-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.63
Rot. Bonds6

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

5-morpholin-4-yl-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one (PubChem CID 103073059) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name5-morpholin-4-yl-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
PubChem CID103073059
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-morpholin-4-yl-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC(C)C)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C15H24N4O2/c1-12(2)16-9-13(3)11-19-15(20)8-14(10-17-19)18-4-6-21-7-5-18/h8,10,12,16H,3-7,9,11H2,1-2H3
InChIKeyVMBNUDZWTYFLAT-UHFFFAOYSA-N
XLogP0.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
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
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}cyclobutanecarboxamide
CID 91924079
N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide
CID 91924084
2-Methoxy-N-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}acetamide
CID 91924087
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}pentanamide
CID 91924088

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
The IUPAC name of 5-morpholin-4-yl-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one (CID 103073059) is 5-morpholin-4-yl-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 5-morpholin-4-yl-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 5-morpholin-4-yl-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one is C=C(CNC(C)C)Cn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 5-morpholin-4-yl-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
The InChIKey is VMBNUDZWTYFLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(2)16-9-13(3)11-19-15(20)8-14(10-17-19)18-4-6-21-7-5-18/h8,10,12,16H,3-7,9,11H2,1-2H3.
What are the key properties of 5-morpholin-4-yl-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
5-morpholin-4-yl-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 0.63, 6 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-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103073059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).