3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one

C17H20N4O — CID 121060327

IUPAC3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C17H20N4O/c22-17(9-8-15-5-2-1-3-6-15)21-13-11-20(12-14-21)16-7-4-10-18-19-16/h1-7,10H,8-9,11-14H2
InChIKeyIDQMSWJAFQHJCG-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.76
Rot. Bonds4

About 3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one

3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one (PubChem CID 121060327) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
PubChem CID121060327
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C17H20N4O/c22-17(9-8-15-5-2-1-3-6-15)21-13-11-20(12-14-21)16-7-4-10-18-19-16/h1-7,10H,8-9,11-14H2
InChIKeyIDQMSWJAFQHJCG-UHFFFAOYSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121053737
1-(4-benzylpiperazin-1-yl)-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone
CID 86894393
1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 91968837
1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-4-pyridin-2-ylbutan-1-one
CID 56780008
3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 56699361
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119953611
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 56922896
3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine
CID 15124613
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
CID 75527247

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one (CID 121060327) is 3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one is O=C(CCc1ccccc1)N1CCN(c2cccnn2)CC1.
What is the InChIKey of 3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one?
The InChIKey is IDQMSWJAFQHJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(9-8-15-5-2-1-3-6-15)21-13-11-20(12-14-21)16-7-4-10-18-19-16/h1-7,10H,8-9,11-14H2.
What are the key properties of 3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one?
3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one has a molecular weight of 296.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 121060327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).