5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one

C14H26N4O3 — CID 114395471

IUPAC5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(O)CNCCOC)c(=O)c1
InChIInChI=1S/C14H26N4O3/c1-4-17(5-2)12-8-14(20)18(16-9-12)11-13(19)10-15-6-7-21-3/h8-9,13,15,19H,4-7,10-11H2,1-3H3
InChIKeySGQNPCPPYKLTJN-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.31
Rot. Bonds10

About 5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one

5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one (PubChem CID 114395471) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one
PubChem CID114395471
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(O)CNCCOC)c(=O)c1
InChIInChI=1S/C14H26N4O3/c1-4-17(5-2)12-8-14(20)18(16-9-12)11-13(19)10-15-6-7-21-3/h8-9,13,15,19H,4-7,10-11H2,1-3H3
InChIKeySGQNPCPPYKLTJN-UHFFFAOYSA-N
XLogP-0.31
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103366656
5-[2-(2-Aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
CID 56881771
N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56910473
N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}butanamide
CID 56916496
5-{2-[2-(isopropylamino)ethyl]-4-morpholinyl}-2-methyl-3(2H)-pyridazinone
CID 70748855
5-(2-Hydroxyethylamino)-2-methylpyridazin-3-one
CID 85866137
N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95725403
N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95725404
N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide
CID 95729428
N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide
CID 95729429
2-hydroxy-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide
CID 95872364

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one (CID 114395471) is 5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one is CCN(CC)c1cnn(CC(O)CNCCOC)c(=O)c1.
What is the InChIKey of 5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one?
The InChIKey is SGQNPCPPYKLTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-4-17(5-2)12-8-14(20)18(16-9-12)11-13(19)10-15-6-7-21-3/h8-9,13,15,19H,4-7,10-11H2,1-3H3.
What are the key properties of 5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one?
5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one has a molecular weight of 298.39 g/mol, XLogP of -0.31, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 114395471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).