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

C11H18N4O2 — CID 103218382

IUPAC5-amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCCN1CCOC(Cn2ncc(N)cc2=O)C1
InChIInChI=1S/C11H18N4O2/c1-2-14-3-4-17-10(7-14)8-15-11(16)5-9(12)6-13-15/h5-6,10H,2-4,7-8,12H2,1H3
InChIKeyMNLPLIVOTKFWJY-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.45
Rot. Bonds3

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

5-amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one (PubChem CID 103218382) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
PubChem CID103218382
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCCN1CCOC(Cn2ncc(N)cc2=O)C1
InChIInChI=1S/C11H18N4O2/c1-2-14-3-4-17-10(7-14)8-15-11(16)5-9(12)6-13-15/h5-6,10H,2-4,7-8,12H2,1H3
InChIKeyMNLPLIVOTKFWJY-UHFFFAOYSA-N
XLogP-0.45
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
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
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
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
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
3,3,3-trifluoro-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56885431
5-[2-(2-aminoethyl)-4-morpholinyl]-2-(3,3,3-trifluoropropyl)-3(2H)-pyridazinone
CID 56910075

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one (CID 103218382) is 5-amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one is CCN1CCOC(Cn2ncc(N)cc2=O)C1.
What is the InChIKey of 5-amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one?
The InChIKey is MNLPLIVOTKFWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-14-3-4-17-10(7-14)8-15-11(16)5-9(12)6-13-15/h5-6,10H,2-4,7-8,12H2,1H3.
What are the key properties of 5-amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one?
5-amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one has a molecular weight of 238.29 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103218382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).