2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone

C13H20N4O3 — CID 16883294

IUPAC2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(c2ccc(OC)nn2)CC1
InChIInChI=1S/C13H20N4O3/c1-3-20-10-13(18)17-8-6-16(7-9-17)11-4-5-12(19-2)15-14-11/h4-5H,3,6-10H2,1-2H3
InChIKeyQMVFRGTUPPEBHI-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.17
Rot. Bonds5

About 2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone

2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 16883294) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID16883294
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(c2ccc(OC)nn2)CC1
InChIInChI=1S/C13H20N4O3/c1-3-20-10-13(18)17-8-6-16(7-9-17)11-4-5-12(19-2)15-14-11/h4-5H,3,6-10H2,1-2H3
InChIKeyQMVFRGTUPPEBHI-UHFFFAOYSA-N
XLogP0.17
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 33677212
CID 33677212
CID 20437727
CID 20437727
CID 16883420
CID 16883420
CID 16883423
CID 16883423
CID 100635030
CID 100635030
CID 75501963
CID 75501963
CID 75519533
CID 75519533
CID 97613959
CID 97613959
CID 75501875
CID 75501875
CID 92101486
CID 92101486
CID 137983003
CID 137983003
CID 154763933
CID 154763933

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone (CID 16883294) is 2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone is CCOCC(=O)N1CCN(c2ccc(OC)nn2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is QMVFRGTUPPEBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-20-10-13(18)17-8-6-16(7-9-17)11-4-5-12(19-2)15-14-11/h4-5H,3,6-10H2,1-2H3.
What are the key properties of 2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone?
2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 280.33 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 16883294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).