5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one

C14H20N6O — CID 72920118

IUPAC5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one
SMILESO=c1cc(N2CCNCC2)cnn1CCCn1cccn1
InChIInChI=1S/C14H20N6O/c21-14-11-13(18-9-4-15-5-10-18)12-17-20(14)8-2-7-19-6-1-3-16-19/h1,3,6,11-12,15H,2,4-5,7-10H2
InChIKeyXYVPXBVXCJUQAC-UHFFFAOYSA-N
MW288.35 g/mol
LogP-0.06
Rot. Bonds5

About 5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one

5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one (PubChem CID 72920118) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one
PubChem CID72920118
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one
SMILESO=c1cc(N2CCNCC2)cnn1CCCn1cccn1
InChIInChI=1S/C14H20N6O/c21-14-11-13(18-9-4-15-5-10-18)12-17-20(14)8-2-7-19-6-1-3-16-19/h1,3,6,11-12,15H,2,4-5,7-10H2
InChIKeyXYVPXBVXCJUQAC-UHFFFAOYSA-N
XLogP-0.06
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one?
The IUPAC name of 5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one (CID 72920118) is 5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one?
The canonical SMILES for 5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one is O=c1cc(N2CCNCC2)cnn1CCCn1cccn1.
What is the InChIKey of 5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one?
The InChIKey is XYVPXBVXCJUQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c21-14-11-13(18-9-4-15-5-10-18)12-17-20(14)8-2-7-19-6-1-3-16-19/h1,3,6,11-12,15H,2,4-5,7-10H2.
What are the key properties of 5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one?
5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one has a molecular weight of 288.35 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-2-(3-pyrazol-1-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 72920118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).