1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one

C19H25N5O — CID 71807496

IUPAC1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCN(C)c1cnnc(N2CCN(C(=O)CCc3ccccc3)CC2)c1
InChIInChI=1S/C19H25N5O/c1-22(2)17-14-18(21-20-15-17)23-10-12-24(13-11-23)19(25)9-8-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3
InChIKeyQUBNMZAYIVQOLE-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.82
Rot. Bonds5

About 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one

1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 71807496) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID71807496
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCN(C)c1cnnc(N2CCN(C(=O)CCc3ccccc3)CC2)c1
InChIInChI=1S/C19H25N5O/c1-22(2)17-14-18(21-20-15-17)23-10-12-24(13-11-23)19(25)9-8-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3
InChIKeyQUBNMZAYIVQOLE-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

[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyridazin-3-ylpiperidin-4-yl)methanone
CID 134521326
1-[4-(6-Chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one
CID 155161520
4-(4-Methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 44396060
4-Pyridazin-3-yl-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 44396115
[1,1'-Biphenyl]-4-yl(4-(pyridazin-3-yl)piperazin-1-yl)methanone
CID 68700057
3-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridazin-3-ylpropanamide
CID 162353391
4-(5-Methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 44396150
6-[4-[2-[4-(Dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 155161660
N-(1-Phenethyl-4-piperidyl)-N-(1-phenylpyrazol-3-YL)propanamide
CID 5254668
2-(4-Fluorophenyl)-1-(4-(6-phenylpyridazin-3-yl)piperazin-1-yl)ethanone
CID 42110641
(2,6-Difluorophenyl)(4-(6-methylpyridazin-3-yl)piperazin-1-yl)methanone
CID 44118031
3-(2-Fluorophenyl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 53591470

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one (CID 71807496) is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one is CN(C)c1cnnc(N2CCN(C(=O)CCc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is QUBNMZAYIVQOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-22(2)17-14-18(21-20-15-17)23-10-12-24(13-11-23)19(25)9-8-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-[5-(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-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 71807496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).