1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one

C13H20N4O2 — CID 16883280

IUPAC1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2ccc(OC)nn2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-4-13(18)17-9-7-16(8-10-17)11-5-6-12(19-2)15-14-11/h5-6H,3-4,7-10H2,1-2H3
InChIKeyBKYRFKWRQJSPIK-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.93
Rot. Bonds4

About 1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one

1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one (PubChem CID 16883280) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
PubChem CID16883280
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2ccc(OC)nn2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-4-13(18)17-9-7-16(8-10-17)11-5-6-12(19-2)15-14-11/h5-6H,3-4,7-10H2,1-2H3
InChIKeyBKYRFKWRQJSPIK-UHFFFAOYSA-N
XLogP0.93
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883287
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 16883364
1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 7178098
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
CID 57443047
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 16883365
2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
CID 16883357
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306
6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 83967770
1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 30773954
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16883464
2-methoxy-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053948

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one (CID 16883280) is 1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(c2ccc(OC)nn2)CC1.
What is the InChIKey of 1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one?
The InChIKey is BKYRFKWRQJSPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-4-13(18)17-9-7-16(8-10-17)11-5-6-12(19-2)15-14-11/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one?
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one has a molecular weight of 264.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 16883280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).