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

C13H21N3O3 — CID 10061509

IUPAC6-butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
SMILESCCCCOc1nn(C)c(=O)cc1N1CCOCC1
InChIInChI=1S/C13H21N3O3/c1-3-4-7-19-13-11(10-12(17)15(2)14-13)16-5-8-18-9-6-16/h10H,3-9H2,1-2H3
InChIKeyDUCXPLLQTQTTIX-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.80
Rot. Bonds5

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

6-butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one (PubChem CID 10061509) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name6-butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
PubChem CID10061509
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name6-butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
SMILESCCCCOc1nn(C)c(=O)cc1N1CCOCC1
InChIInChI=1S/C13H21N3O3/c1-3-4-7-19-13-11(10-12(17)15(2)14-13)16-5-8-18-9-6-16/h10H,3-9H2,1-2H3
InChIKeyDUCXPLLQTQTTIX-UHFFFAOYSA-N
XLogP0.80
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.80
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

2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
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
2-Cyclohexyl-6-ethoxy-5-morpholin-4-ylpyridazin-3-one
CID 10063825
6-Ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 10082326

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 6-butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one (CID 10061509) is 6-butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 6-butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 6-butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one is CCCCOc1nn(C)c(=O)cc1N1CCOCC1.
What is the InChIKey of 6-butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is DUCXPLLQTQTTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-4-7-19-13-11(10-12(17)15(2)14-13)16-5-8-18-9-6-16/h10H,3-9H2,1-2H3.
What are the key properties of 6-butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one?
6-butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 267.33 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 10061509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).