2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone

C16H16F2N4O — CID 136513871

IUPAC2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C16H16F2N4O/c17-13-4-3-12(10-14(13)18)11-16(23)22-8-6-21(7-9-22)15-2-1-5-19-20-15/h1-5,10H,6-9,11H2
InChIKeyALHQGDQXIJSREH-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.65
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone

2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone (PubChem CID 136513871) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
PubChem CID136513871
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C16H16F2N4O/c17-13-4-3-12(10-14(13)18)11-16(23)22-8-6-21(7-9-22)15-2-1-5-19-20-15/h1-5,10H,6-9,11H2
InChIKeyALHQGDQXIJSREH-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060327
1-(4-pyridazin-3-ylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 154739983
(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060430
4-[4-[2-(3,4-difluorophenyl)acetyl]piperazin-1-yl]-4-oxobut-2-enoic acid
CID 6735027
2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 155161643
2-(4-fluorophenyl)-1-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethanone
CID 55987649
2-[3-(difluoromethyl)-4-fluorophenyl]-1-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 162386637
1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 113081387
1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone
CID 68937211
4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 175905284
1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 120512865

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone (CID 136513871) is 2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone is O=C(Cc1ccc(F)c(F)c1)N1CCN(c2cccnn2)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone?
The InChIKey is ALHQGDQXIJSREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c17-13-4-3-12(10-14(13)18)11-16(23)22-8-6-21(7-9-22)15-2-1-5-19-20-15/h1-5,10H,6-9,11H2.
What are the key properties of 2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone?
2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone has a molecular weight of 318.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 136513871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).