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

C10H16N4O — CID 62849784

IUPAC2-(2-piperazin-1-ylethyl)pyridazin-3-one
SMILESO=c1cccnn1CCN1CCNCC1
InChIInChI=1S/C10H16N4O/c15-10-2-1-3-12-14(10)9-8-13-6-4-11-5-7-13/h1-3,11H,4-9H2
InChIKeyZQUHATANABEQCH-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.85
Rot. Bonds3

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

2-(2-piperazin-1-ylethyl)pyridazin-3-one (PubChem CID 62849784) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-piperazin-1-ylethyl)pyridazin-3-one
PubChem CID62849784
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(2-piperazin-1-ylethyl)pyridazin-3-one
SMILESO=c1cccnn1CCN1CCNCC1
InChIInChI=1S/C10H16N4O/c15-10-2-1-3-12-14(10)9-8-13-6-4-11-5-7-13/h1-3,11H,4-9H2
InChIKeyZQUHATANABEQCH-UHFFFAOYSA-N
XLogP-0.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 2-(2-piperazin-1-ylethyl)pyridazin-3-one (CID 62849784) is 2-(2-piperazin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-piperazin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 2-(2-piperazin-1-ylethyl)pyridazin-3-one is O=c1cccnn1CCN1CCNCC1.
What is the InChIKey of 2-(2-piperazin-1-ylethyl)pyridazin-3-one?
The InChIKey is ZQUHATANABEQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-10-2-1-3-12-14(10)9-8-13-6-4-11-5-7-13/h1-3,11H,4-9H2.
What are the key properties of 2-(2-piperazin-1-ylethyl)pyridazin-3-one?
2-(2-piperazin-1-ylethyl)pyridazin-3-one has a molecular weight of 208.26 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 62849784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).