1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone

C18H23N5O2 — CID 91968699

IUPAC1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
SMILESCN(C)c1cnnc(N2CCN(C(=O)COc3ccccc3)CC2)c1
InChIInChI=1S/C18H23N5O2/c1-21(2)15-12-17(20-19-13-15)22-8-10-23(11-9-22)18(24)14-25-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyYOBHYGYJGDWHFY-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.27
Rot. Bonds5

About 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone

1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone (PubChem CID 91968699) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
PubChem CID91968699
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
SMILESCN(C)c1cnnc(N2CCN(C(=O)COc3ccccc3)CC2)c1
InChIInChI=1S/C18H23N5O2/c1-21(2)15-12-17(20-19-13-15)22-8-10-23(11-9-22)18(24)14-25-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyYOBHYGYJGDWHFY-UHFFFAOYSA-N
XLogP1.27
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone
CID 121137222
[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone
CID 122342714
N-[2-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122342702
1-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone
CID 50980260
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971618
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 71807486
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 122342689
2-(4-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355625
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 121113684
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 122340259
2-phenoxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 47072316

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone (CID 91968699) is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone is CN(C)c1cnnc(N2CCN(C(=O)COc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is YOBHYGYJGDWHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-21(2)15-12-17(20-19-13-15)22-8-10-23(11-9-22)18(24)14-25-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone?
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 341.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 91968699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).