6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one

C14H23N3O2 — CID 10061409

IUPAC6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one
SMILESCCCCOc1nn(C)c(=O)cc1N1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-4-10-19-14-12(11-13(18)16(2)15-14)17-8-6-5-7-9-17/h11H,3-10H2,1-2H3
InChIKeyFQLNVQJFWPQMSZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.95
Rot. Bonds5

About 6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one

6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one (PubChem CID 10061409) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one
PubChem CID10061409
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one
SMILESCCCCOc1nn(C)c(=O)cc1N1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-4-10-19-14-12(11-13(18)16(2)15-14)17-8-6-5-7-9-17/h11H,3-10H2,1-2H3
InChIKeyFQLNVQJFWPQMSZ-UHFFFAOYSA-N
XLogP1.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-morpholin-4-ylpyridazin-3-one
CID 10061509
2-Cyclohexyl-6-ethoxy-5-morpholin-4-ylpyridazin-3-one
CID 10063825
6-Ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 10082326
6-Butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 10083526

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one (CID 10061409) is 6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one is CCCCOc1nn(C)c(=O)cc1N1CCCCC1.
What is the InChIKey of 6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is FQLNVQJFWPQMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-4-10-19-14-12(11-13(18)16(2)15-14)17-8-6-5-7-9-17/h11H,3-10H2,1-2H3.
What are the key properties of 6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one?
6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 265.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 10061409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).