2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one

C11H16N4O — CID 173361428

IUPAC2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one
SMILESO=c1cccnn1CC=CN1CCNCC1
InChIInChI=1S/C11H16N4O/c16-11-3-1-4-13-15(11)8-2-7-14-9-5-12-6-10-14/h1-4,7,12H,5-6,8-10H2
InChIKeyLPFYPEZNSDUJRC-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.34
Rot. Bonds3

About 2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one

2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one (PubChem CID 173361428) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one
PubChem CID173361428
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one
SMILESO=c1cccnn1CC=CN1CCNCC1
InChIInChI=1S/C11H16N4O/c16-11-3-1-4-13-15(11)8-2-7-14-9-5-12-6-10-14/h1-4,7,12H,5-6,8-10H2
InChIKeyLPFYPEZNSDUJRC-UHFFFAOYSA-N
XLogP-0.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one?
The IUPAC name of 2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one (CID 173361428) is 2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one.
What is the SMILES notation for 2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one?
The canonical SMILES for 2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one is O=c1cccnn1CC=CN1CCNCC1.
What is the InChIKey of 2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one?
The InChIKey is LPFYPEZNSDUJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11-3-1-4-13-15(11)8-2-7-14-9-5-12-6-10-14/h1-4,7,12H,5-6,8-10H2.
What are the key properties of 2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one?
2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one has a molecular weight of 220.28 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperazin-1-ylprop-2-enyl)pyridazin-3-one is sourced from PubChem (CID 173361428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).