2-(piperazin-1-ylmethyl)pyridazin-3-one

C9H14N4O — CID 67060822

IUPAC2-(piperazin-1-ylmethyl)pyridazin-3-one
SMILESO=c1cccnn1CN1CCNCC1
InChIInChI=1S/C9H14N4O/c14-9-2-1-3-11-13(9)8-12-6-4-10-5-7-12/h1-3,10H,4-8H2
InChIKeyZBXLVKOROWMYOK-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.89
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)pyridazin-3-one

2-(piperazin-1-ylmethyl)pyridazin-3-one (PubChem CID 67060822) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)pyridazin-3-one
PubChem CID67060822
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-(piperazin-1-ylmethyl)pyridazin-3-one
SMILESO=c1cccnn1CN1CCNCC1
InChIInChI=1S/C9H14N4O/c14-9-2-1-3-11-13(9)8-12-6-4-10-5-7-12/h1-3,10H,4-8H2
InChIKeyZBXLVKOROWMYOK-UHFFFAOYSA-N
XLogP-0.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)pyridazin-3-one?
The IUPAC name of 2-(piperazin-1-ylmethyl)pyridazin-3-one (CID 67060822) is 2-(piperazin-1-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)pyridazin-3-one?
The canonical SMILES for 2-(piperazin-1-ylmethyl)pyridazin-3-one is O=c1cccnn1CN1CCNCC1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)pyridazin-3-one?
The InChIKey is ZBXLVKOROWMYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9-2-1-3-11-13(9)8-12-6-4-10-5-7-12/h1-3,10H,4-8H2.
What are the key properties of 2-(piperazin-1-ylmethyl)pyridazin-3-one?
2-(piperazin-1-ylmethyl)pyridazin-3-one has a molecular weight of 194.24 g/mol, XLogP of -0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 67060822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).