3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one

C22H24N4O — CID 167791891

IUPAC3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCN(CCc3ccc(-c4ccccc4)cc3)CC2)n[nH]1
InChIInChI=1S/C22H24N4O/c27-22-11-10-21(23-24-22)26-16-14-25(15-17-26)13-12-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-11H,12-17H2,(H,24,27)
InChIKeyOVBJXROMQULASA-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.80
Rot. Bonds5

About 3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one

3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 167791891) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID167791891
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCN(CCc3ccc(-c4ccccc4)cc3)CC2)n[nH]1
InChIInChI=1S/C22H24N4O/c27-22-11-10-21(23-24-22)26-16-14-25(15-17-26)13-12-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-11H,12-17H2,(H,24,27)
InChIKeyOVBJXROMQULASA-UHFFFAOYSA-N
XLogP2.80
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 167791891) is 3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one is O=c1ccc(N2CCN(CCc3ccc(-c4ccccc4)cc3)CC2)n[nH]1.
What is the InChIKey of 3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is OVBJXROMQULASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22-11-10-21(23-24-22)26-16-14-25(15-17-26)13-12-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-11H,12-17H2,(H,24,27).
What are the key properties of 3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one?
3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 360.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 167791891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).