1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one

C19H25N5O — CID 121053737

IUPAC1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCN(C)c1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)nn1
InChIInChI=1S/C19H25N5O/c1-22(2)17-9-10-18(21-20-17)23-12-14-24(15-13-23)19(25)11-8-16-6-4-3-5-7-16/h3-7,9-10H,8,11-15H2,1-2H3
InChIKeyGOEWNAYRUPEQBE-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.82
Rot. Bonds5

About 1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one

1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 121053737) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID121053737
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCN(C)c1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)nn1
InChIInChI=1S/C19H25N5O/c1-22(2)17-9-10-18(21-20-17)23-12-14-24(15-13-23)19(25)11-8-16-6-4-3-5-7-16/h3-7,9-10H,8,11-15H2,1-2H3
InChIKeyGOEWNAYRUPEQBE-UHFFFAOYSA-N
XLogP1.82
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 122334067
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712
3-cyclopentyl-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122334043
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 56922896
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121053699
3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060327
2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 122334072
1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 30773954
2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121054075
3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 56699361
1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122335567
1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110645862

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one (CID 121053737) is 1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one is CN(C)c1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)nn1.
What is the InChIKey of 1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is GOEWNAYRUPEQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-22(2)17-9-10-18(21-20-17)23-12-14-24(15-13-23)19(25)11-8-16-6-4-3-5-7-16/h3-7,9-10H,8,11-15H2,1-2H3.
What are the key properties of 1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 339.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 121053737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).