3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one

C12H19N3O3 — CID 163451616

IUPAC3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one
SMILESCCCCOc1n[nH]c(=O)cc1N1CCOCC1
InChIInChI=1S/C12H19N3O3/c1-2-3-6-18-12-10(9-11(16)13-14-12)15-4-7-17-8-5-15/h9H,2-8H2,1H3,(H,13,16)
InChIKeyBHBSTGLBQHGOTH-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.79
Rot. Bonds5

About 3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one

3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one (PubChem CID 163451616) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one
PubChem CID163451616
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one
SMILESCCCCOc1n[nH]c(=O)cc1N1CCOCC1
InChIInChI=1S/C12H19N3O3/c1-2-3-6-18-12-10(9-11(16)13-14-12)15-4-7-17-8-5-15/h9H,2-8H2,1H3,(H,13,16)
InChIKeyBHBSTGLBQHGOTH-UHFFFAOYSA-N
XLogP0.79
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-Morpholinyl)-3(2H)-pyridazinone
CID 12550771
4-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride
CID 23448481
6-Methoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 9991237
2-Methyl-5-morpholin-4-yl-6-propoxypyridazin-3-one
CID 10015131
6-Ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one
CID 10037168
6-Butoxy-2-ethyl-5-morpholin-4-ylpyridazin-3-one
CID 10039368
5-Morpholin-4-yl-6-propoxy-2-propylpyridazin-3-one
CID 10039369
6-Butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one
CID 10061409
6-Butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 10061509
2-Butyl-5-morpholin-4-yl-6-propoxypyridazin-3-one
CID 10085879
6-Hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 10108558
2-Ethyl-5-morpholin-4-yl-6-pentoxypyridazin-3-one
CID 10108559

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one?
The IUPAC name of 3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one (CID 163451616) is 3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one is CCCCOc1n[nH]c(=O)cc1N1CCOCC1.
What is the InChIKey of 3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one?
The InChIKey is BHBSTGLBQHGOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-3-6-18-12-10(9-11(16)13-14-12)15-4-7-17-8-5-15/h9H,2-8H2,1H3,(H,13,16).
What are the key properties of 3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one?
3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one is sourced from PubChem (CID 163451616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).