1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone

C19H20Cl2N4O2 — CID 122279289

IUPAC1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C19H20Cl2N4O2/c20-14-3-5-17(15(21)11-14)27-12-19(26)25-9-7-24(8-10-25)18-6-4-16(22-23-18)13-1-2-13/h3-6,11,13H,1-2,7-10,12H2
InChIKeyREYMJPNEZAJROX-UHFFFAOYSA-N
MW407.30 g/mol
LogP3.39
Rot. Bonds5

About 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone

1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone (PubChem CID 122279289) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
PubChem CID122279289
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC Name1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C19H20Cl2N4O2/c20-14-3-5-17(15(21)11-14)27-12-19(26)25-9-7-24(8-10-25)18-6-4-16(22-23-18)13-1-2-13/h3-6,11,13H,1-2,7-10,12H2
InChIKeyREYMJPNEZAJROX-UHFFFAOYSA-N
XLogP3.39
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone with MolForge

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Related Compounds

2-(4-chlorophenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122279224
2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
CID 16883357
6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110420694
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
2-(2,4-dichlorophenoxy)-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 60603145
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122279318
2-(2,4-dichlorophenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9228398
2-(2,4-dichlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2304004
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-sulfanylpropan-1-one
CID 71819731
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108533425
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110817700

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone?
The IUPAC name of 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone (CID 122279289) is 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone.
What is the SMILES notation for 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone?
The canonical SMILES for 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone is O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone?
The InChIKey is REYMJPNEZAJROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c20-14-3-5-17(15(21)11-14)27-12-19(26)25-9-7-24(8-10-25)18-6-4-16(22-23-18)13-1-2-13/h3-6,11,13H,1-2,7-10,12H2.
What are the key properties of 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone?
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone has a molecular weight of 407.30 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone is sourced from PubChem (CID 122279289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).