4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one

C16H16F2N4O — CID 167782747

IUPAC4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1ccc(-c2c(F)cccc2F)nn1
InChIInChI=1S/C16H16F2N4O/c1-2-13-16(23)19-8-9-22(13)14-7-6-12(20-21-14)15-10(17)4-3-5-11(15)18/h3-7,13H,2,8-9H2,1H3,(H,19,23)
InChIKeyZAEWXGLYWDXUNR-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.14
Rot. Bonds3

About 4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one

4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one (PubChem CID 167782747) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one
PubChem CID167782747
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1ccc(-c2c(F)cccc2F)nn1
InChIInChI=1S/C16H16F2N4O/c1-2-13-16(23)19-8-9-22(13)14-7-6-12(20-21-14)15-10(17)4-3-5-11(15)18/h3-7,13H,2,8-9H2,1H3,(H,19,23)
InChIKeyZAEWXGLYWDXUNR-UHFFFAOYSA-N
XLogP2.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-3-oxopiperazin-1-yl)-6-fluorobenzenecarbothioamide
CID 79519495
3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one
CID 133461689
2-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbothioamide
CID 63604908
4-(2-amino-4-fluoro-5-methylphenyl)-3-ethylpiperazin-2-one
CID 103590402
4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one
CID 104540385
4-[2-(1-aminoethyl)phenyl]-3-ethylpiperazin-2-one
CID 63601313
4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one
CID 167888729
3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one
CID 80833586
3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one
CID 63604442
3-ethyl-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-2-one
CID 80834717
4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one
CID 55216726
2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide
CID 113332983

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one (CID 167782747) is 4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1c1ccc(-c2c(F)cccc2F)nn1.
What is the InChIKey of 4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one?
The InChIKey is ZAEWXGLYWDXUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c1-2-13-16(23)19-8-9-22(13)14-7-6-12(20-21-14)15-10(17)4-3-5-11(15)18/h3-7,13H,2,8-9H2,1H3,(H,19,23).
What are the key properties of 4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one?
4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one has a molecular weight of 318.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,6-difluorophenyl)pyridazin-3-yl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 167782747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).