2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one

C19H20N6O — CID 163350513

IUPAC2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one
SMILESO=c1ccc(N2CCN(c3cnccn3)CC2)nn1Cc1ccccc1
InChIInChI=1S/C19H20N6O/c26-19-7-6-17(22-25(19)15-16-4-2-1-3-5-16)23-10-12-24(13-11-23)18-14-20-8-9-21-18/h1-9,14H,10-13,15H2
InChIKeyRJBSLADDMSJRBI-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.41
Rot. Bonds4

About 2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one

2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one (PubChem CID 163350513) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one
PubChem CID163350513
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one
SMILESO=c1ccc(N2CCN(c3cnccn3)CC2)nn1Cc1ccccc1
InChIInChI=1S/C19H20N6O/c26-19-7-6-17(22-25(19)15-16-4-2-1-3-5-16)23-10-12-24(13-11-23)18-14-20-8-9-21-18/h1-9,14H,10-13,15H2
InChIKeyRJBSLADDMSJRBI-UHFFFAOYSA-N
XLogP1.41
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one (CID 163350513) is 2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one is O=c1ccc(N2CCN(c3cnccn3)CC2)nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is RJBSLADDMSJRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19-7-6-17(22-25(19)15-16-4-2-1-3-5-16)23-10-12-24(13-11-23)18-14-20-8-9-21-18/h1-9,14H,10-13,15H2.
What are the key properties of 2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one?
2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 348.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 163350513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).