2-(6-oxopyridazin-1-yl)acetaldehyde

C6H6N2O2 — CID 62849609

IUPAC2-(6-oxopyridazin-1-yl)acetaldehyde
SMILESO=CCn1ncccc1=O
InChIInChI=1S/C6H6N2O2/c9-5-4-8-6(10)2-1-3-7-8/h1-3,5H,4H2
InChIKeyZASBHWMMMVKVEG-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.56
Rot. Bonds2

About 2-(6-oxopyridazin-1-yl)acetaldehyde

2-(6-oxopyridazin-1-yl)acetaldehyde (PubChem CID 62849609) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 2-(6-oxopyridazin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-oxopyridazin-1-yl)acetaldehyde
PubChem CID62849609
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name2-(6-oxopyridazin-1-yl)acetaldehyde
SMILESO=CCn1ncccc1=O
InChIInChI=1S/C6H6N2O2/c9-5-4-8-6(10)2-1-3-7-8/h1-3,5H,4H2
InChIKeyZASBHWMMMVKVEG-UHFFFAOYSA-N
XLogP-0.56
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(6-oxopyridazin-1-yl)acetaldehyde 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 2-(6-oxopyridazin-1-yl)acetaldehyde?
The IUPAC name of 2-(6-oxopyridazin-1-yl)acetaldehyde (CID 62849609) is 2-(6-oxopyridazin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(6-oxopyridazin-1-yl)acetaldehyde?
The canonical SMILES for 2-(6-oxopyridazin-1-yl)acetaldehyde is O=CCn1ncccc1=O.
What is the InChIKey of 2-(6-oxopyridazin-1-yl)acetaldehyde?
The InChIKey is ZASBHWMMMVKVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-5-4-8-6(10)2-1-3-7-8/h1-3,5H,4H2.
What are the key properties of 2-(6-oxopyridazin-1-yl)acetaldehyde?
2-(6-oxopyridazin-1-yl)acetaldehyde has a molecular weight of 138.13 g/mol, XLogP of -0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxopyridazin-1-yl)acetaldehyde is sourced from PubChem (CID 62849609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).