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

C14H24N4O2 — CID 103219548

IUPAC2-[(4-ethylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
SMILESCCN1CCOC(Cn2ncc(NC(C)C)cc2=O)C1
InChIInChI=1S/C14H24N4O2/c1-4-17-5-6-20-13(9-17)10-18-14(19)7-12(8-15-18)16-11(2)3/h7-8,11,13,16H,4-6,9-10H2,1-3H3
InChIKeyRGRGXRNDSOIYFM-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.78
Rot. Bonds5

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

2-[(4-ethylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219548) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219548
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[(4-ethylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
SMILESCCN1CCOC(Cn2ncc(NC(C)C)cc2=O)C1
InChIInChI=1S/C14H24N4O2/c1-4-17-5-6-20-13(9-17)10-18-14(19)7-12(8-15-18)16-11(2)3/h7-8,11,13,16H,4-6,9-10H2,1-3H3
InChIKeyRGRGXRNDSOIYFM-UHFFFAOYSA-N
XLogP0.78
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}acetamide
CID 56898251
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
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,N-dimethyl-N'-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}sulfamide
CID 70781144
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
2-Methoxy-N-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}acetamide
CID 91924087

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one (CID 103219548) is 2-[(4-ethylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one is CCN1CCOC(Cn2ncc(NC(C)C)cc2=O)C1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is RGRGXRNDSOIYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-17-5-6-20-13(9-17)10-18-14(19)7-12(8-15-18)16-11(2)3/h7-8,11,13,16H,4-6,9-10H2,1-3H3.
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
2-[(4-ethylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 280.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).