2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one

C17H20N4O2 — CID 121060337

IUPAC2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C17H20N4O2/c1-14(23-15-6-3-2-4-7-15)17(22)21-12-10-20(11-13-21)16-8-5-9-18-19-16/h2-9,14H,10-13H2,1H3
InChIKeyFCYPIXGBURVAOR-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.59
Rot. Bonds4

About 2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one

2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one (PubChem CID 121060337) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
PubChem CID121060337
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C17H20N4O2/c1-14(23-15-6-3-2-4-7-15)17(22)21-12-10-20(11-13-21)16-8-5-9-18-19-16/h2-9,14H,10-13H2,1H3
InChIKeyFCYPIXGBURVAOR-UHFFFAOYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenoxy)-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060436
(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 7292366
2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 52992436
1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 16822756
2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 71799914
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 122279328
(2R)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 95380224
(4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060380
(2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 7354583
(2R)-2-phenoxy-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 93477996
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51143811

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one (CID 121060337) is 2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one is CC(Oc1ccccc1)C(=O)N1CCN(c2cccnn2)CC1.
What is the InChIKey of 2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one?
The InChIKey is FCYPIXGBURVAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-14(23-15-6-3-2-4-7-15)17(22)21-12-10-20(11-13-21)16-8-5-9-18-19-16/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one?
2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one has a molecular weight of 312.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 121060337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).