6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C9H12N6O — CID 21494296

IUPAC6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCNCC3)nn12
InChIInChI=1S/C9H12N6O/c16-9-12-11-7-1-2-8(13-15(7)9)14-5-3-10-4-6-14/h1-2,10H,3-6H2,(H,12,16)
InChIKeyJUCOAQMQMWRKIM-UHFFFAOYSA-N
MW220.24 g/mol
LogP-1.17
Rot. Bonds1

About 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 21494296) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID21494296
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCNCC3)nn12
InChIInChI=1S/C9H12N6O/c16-9-12-11-7-1-2-8(13-15(7)9)14-5-3-10-4-6-14/h1-2,10H,3-6H2,(H,12,16)
InChIKeyJUCOAQMQMWRKIM-UHFFFAOYSA-N
XLogP-1.17
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 21494296) is 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(N3CCNCC3)nn12.
What is the InChIKey of 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is JUCOAQMQMWRKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c16-9-12-11-7-1-2-8(13-15(7)9)14-5-3-10-4-6-14/h1-2,10H,3-6H2,(H,12,16).
What are the key properties of 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 220.24 g/mol, XLogP of -1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 21494296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).