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

C11H17N5O — CID 173202247

IUPAC2-(3-piperazin-1-ylprop-2-enylamino)pyridazin-3-one
SMILESO=c1cccnn1NCC=CN1CCNCC1
InChIInChI=1S/C11H17N5O/c17-11-3-1-4-13-16(11)14-5-2-8-15-9-6-12-7-10-15/h1-4,8,12,14H,5-7,9-10H2
InChIKeyOIRSKEYMRSHSCE-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.79
Rot. Bonds4

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

2-(3-piperazin-1-ylprop-2-enylamino)pyridazin-3-one (PubChem CID 173202247) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(3-piperazin-1-ylprop-2-enylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-piperazin-1-ylprop-2-enylamino)pyridazin-3-one
PubChem CID173202247
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-(3-piperazin-1-ylprop-2-enylamino)pyridazin-3-one
SMILESO=c1cccnn1NCC=CN1CCNCC1
InChIInChI=1S/C11H17N5O/c17-11-3-1-4-13-16(11)14-5-2-8-15-9-6-12-7-10-15/h1-4,8,12,14H,5-7,9-10H2
InChIKeyOIRSKEYMRSHSCE-UHFFFAOYSA-N
XLogP-0.79
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperazin-1-ylprop-2-enylamino)pyridazin-3-one?
The IUPAC name of 2-(3-piperazin-1-ylprop-2-enylamino)pyridazin-3-one (CID 173202247) is 2-(3-piperazin-1-ylprop-2-enylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-piperazin-1-ylprop-2-enylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-piperazin-1-ylprop-2-enylamino)pyridazin-3-one is O=c1cccnn1NCC=CN1CCNCC1.
What is the InChIKey of 2-(3-piperazin-1-ylprop-2-enylamino)pyridazin-3-one?
The InChIKey is OIRSKEYMRSHSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c17-11-3-1-4-13-16(11)14-5-2-8-15-9-6-12-7-10-15/h1-4,8,12,14H,5-7,9-10H2.
What are the key properties of 2-(3-piperazin-1-ylprop-2-enylamino)pyridazin-3-one?
2-(3-piperazin-1-ylprop-2-enylamino)pyridazin-3-one has a molecular weight of 235.29 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperazin-1-ylprop-2-enylamino)pyridazin-3-one is sourced from PubChem (CID 173202247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).