5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one

C14H25N5O2 — CID 103221084

IUPAC5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCC(C)N1CCOC(Cn2ncc(NCCN)cc2=O)C1
InChIInChI=1S/C14H25N5O2/c1-11(2)18-5-6-21-13(9-18)10-19-14(20)7-12(8-17-19)16-4-3-15/h7-8,11,13,16H,3-6,9-10,15H2,1-2H3
InChIKeyOYKDDYJENHHCNU-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.28
Rot. Bonds6

About 5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one

5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one (PubChem CID 103221084) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
PubChem CID103221084
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCC(C)N1CCOC(Cn2ncc(NCCN)cc2=O)C1
InChIInChI=1S/C14H25N5O2/c1-11(2)18-5-6-21-13(9-18)10-19-14(20)7-12(8-17-19)16-4-3-15/h7-8,11,13,16H,3-6,9-10,15H2,1-2H3
InChIKeyOYKDDYJENHHCNU-UHFFFAOYSA-N
XLogP-0.28
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
2-[2-[2-(Aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
CID 72893567
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
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
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}pentanamide
CID 91924088
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2,2-dimethylpropanamide
CID 91924089

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one (CID 103221084) is 5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one is CC(C)N1CCOC(Cn2ncc(NCCN)cc2=O)C1.
What is the InChIKey of 5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
The InChIKey is OYKDDYJENHHCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-11(2)18-5-6-21-13(9-18)10-19-14(20)7-12(8-17-19)16-4-3-15/h7-8,11,13,16H,3-6,9-10,15H2,1-2H3.
What are the key properties of 5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one has a molecular weight of 295.39 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103221084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).