3-ethyl-1H-pyridazin-6-one

C6H8N2O — CID 23519182

IUPAC3-ethyl-1H-pyridazin-6-one
SMILESCCc1ccc(=O)[nH]n1
InChIInChI=1S/C6H8N2O/c1-2-5-3-4-6(9)8-7-5/h3-4H,2H2,1H3,(H,8,9)
InChIKeyGXCQEJABMXDVRC-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.33
Rot. Bonds1

About 3-ethyl-1H-pyridazin-6-one

3-ethyl-1H-pyridazin-6-one (PubChem CID 23519182) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 3-ethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-ethyl-1H-pyridazin-6-one
PubChem CID23519182
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name3-ethyl-1H-pyridazin-6-one
SMILESCCc1ccc(=O)[nH]n1
InChIInChI=1S/C6H8N2O/c1-2-5-3-4-6(9)8-7-5/h3-4H,2H2,1H3,(H,8,9)
InChIKeyGXCQEJABMXDVRC-UHFFFAOYSA-N
XLogP0.33
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1H-pyridazin-6-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 3-ethyl-1H-pyridazin-6-one?
The IUPAC name of 3-ethyl-1H-pyridazin-6-one (CID 23519182) is 3-ethyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-ethyl-1H-pyridazin-6-one?
The canonical SMILES for 3-ethyl-1H-pyridazin-6-one is CCc1ccc(=O)[nH]n1.
What is the InChIKey of 3-ethyl-1H-pyridazin-6-one?
The InChIKey is GXCQEJABMXDVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-5-3-4-6(9)8-7-5/h3-4H,2H2,1H3,(H,8,9).
What are the key properties of 3-ethyl-1H-pyridazin-6-one?
3-ethyl-1H-pyridazin-6-one has a molecular weight of 124.14 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-pyridazin-6-one is sourced from PubChem (CID 23519182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).