2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one

C21H24N6O — CID 163350553

IUPAC2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
SMILESCCc1cnc(N2CCN(c3ccc(=O)n(Cc4ccccc4)n3)CC2)nc1
InChIInChI=1S/C21H24N6O/c1-2-17-14-22-21(23-15-17)26-12-10-25(11-13-26)19-8-9-20(28)27(24-19)16-18-6-4-3-5-7-18/h3-9,14-15H,2,10-13,16H2,1H3
InChIKeyGETWBUWOGKRBSE-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.97
Rot. Bonds5

About 2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one

2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one (PubChem CID 163350553) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
PubChem CID163350553
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
SMILESCCc1cnc(N2CCN(c3ccc(=O)n(Cc4ccccc4)n3)CC2)nc1
InChIInChI=1S/C21H24N6O/c1-2-17-14-22-21(23-15-17)26-12-10-25(11-13-26)19-8-9-20(28)27(24-19)16-18-6-4-3-5-7-18/h3-9,14-15H,2,10-13,16H2,1H3
InChIKeyGETWBUWOGKRBSE-UHFFFAOYSA-N
XLogP1.97
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.97
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-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one (CID 163350553) is 2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one is CCc1cnc(N2CCN(c3ccc(=O)n(Cc4ccccc4)n3)CC2)nc1.
What is the InChIKey of 2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is GETWBUWOGKRBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-2-17-14-22-21(23-15-17)26-12-10-25(11-13-26)19-8-9-20(28)27(24-19)16-18-6-4-3-5-7-18/h3-9,14-15H,2,10-13,16H2,1H3.
What are the key properties of 2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one?
2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 376.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 163350553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).