2-piperazin-1-ylpyridazin-3-one

C8H12N4O — CID 140612025

IUPAC2-piperazin-1-ylpyridazin-3-one
SMILESO=c1cccnn1N1CCNCC1
InChIInChI=1S/C8H12N4O/c13-8-2-1-3-10-12(8)11-6-4-9-5-7-11/h1-3,9H,4-7H2
InChIKeyDJZMKUHFHRPCQG-UHFFFAOYSA-N
MW180.21 g/mol
LogP-1.22
Rot. Bonds1

About 2-piperazin-1-ylpyridazin-3-one

2-piperazin-1-ylpyridazin-3-one (PubChem CID 140612025) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-piperazin-1-ylpyridazin-3-one
PubChem CID140612025
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-piperazin-1-ylpyridazin-3-one
SMILESO=c1cccnn1N1CCNCC1
InChIInChI=1S/C8H12N4O/c13-8-2-1-3-10-12(8)11-6-4-9-5-7-11/h1-3,9H,4-7H2
InChIKeyDJZMKUHFHRPCQG-UHFFFAOYSA-N
XLogP-1.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 2-piperazin-1-ylpyridazin-3-one (CID 140612025) is 2-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 2-piperazin-1-ylpyridazin-3-one is O=c1cccnn1N1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylpyridazin-3-one?
The InChIKey is DJZMKUHFHRPCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c13-8-2-1-3-10-12(8)11-6-4-9-5-7-11/h1-3,9H,4-7H2.
What are the key properties of 2-piperazin-1-ylpyridazin-3-one?
2-piperazin-1-ylpyridazin-3-one has a molecular weight of 180.21 g/mol, XLogP of -1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 140612025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).