6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one

C15H25N3O3 — CID 10108558

IUPAC6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
SMILESCCCCCCOc1nn(C)c(=O)cc1N1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-3-4-5-6-9-21-15-13(12-14(19)17(2)16-15)18-7-10-20-11-8-18/h12H,3-11H2,1-2H3
InChIKeyGLGVPBVBFQMZRO-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.58
Rot. Bonds7

About 6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one

6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one (PubChem CID 10108558) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
PubChem CID10108558
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
SMILESCCCCCCOc1nn(C)c(=O)cc1N1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-3-4-5-6-9-21-15-13(12-14(19)17(2)16-15)18-7-10-20-11-8-18/h12H,3-11H2,1-2H3
InChIKeyGLGVPBVBFQMZRO-UHFFFAOYSA-N
XLogP1.58
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one
CID 163451616
6-Methoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 9991237
5-Morpholin-4-yl-2-pentyl-6-propoxypyridazin-3-one
CID 9995485
2-Methyl-5-morpholin-4-yl-6-octoxypyridazin-3-one
CID 9996316
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-Cyclohexyl-6-ethoxy-5-morpholin-4-ylpyridazin-3-one
CID 10063825
2-Butyl-5-morpholin-4-yl-6-propoxypyridazin-3-one
CID 10085879

Frequently Asked Questions

What is the IUPAC name of 6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one (CID 10108558) is 6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one is CCCCCCOc1nn(C)c(=O)cc1N1CCOCC1.
What is the InChIKey of 6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is GLGVPBVBFQMZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-4-5-6-9-21-15-13(12-14(19)17(2)16-15)18-7-10-20-11-8-18/h12H,3-11H2,1-2H3.
What are the key properties of 6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one?
6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 295.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 10108558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).