5-ethyl-3,4-dimethyl-1H-pyridazin-6-one

C8H12N2O — CID 134913192

IUPAC5-ethyl-3,4-dimethyl-1H-pyridazin-6-one
SMILESCCc1c(C)c(C)n[nH]c1=O
InChIInChI=1S/C8H12N2O/c1-4-7-5(2)6(3)9-10-8(7)11/h4H2,1-3H3,(H,10,11)
InChIKeyWMPSVQFBISBWLP-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.95
Rot. Bonds1

About 5-ethyl-3,4-dimethyl-1H-pyridazin-6-one

5-ethyl-3,4-dimethyl-1H-pyridazin-6-one (PubChem CID 134913192) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-ethyl-3,4-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-ethyl-3,4-dimethyl-1H-pyridazin-6-one
PubChem CID134913192
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-ethyl-3,4-dimethyl-1H-pyridazin-6-one
SMILESCCc1c(C)c(C)n[nH]c1=O
InChIInChI=1S/C8H12N2O/c1-4-7-5(2)6(3)9-10-8(7)11/h4H2,1-3H3,(H,10,11)
InChIKeyWMPSVQFBISBWLP-UHFFFAOYSA-N
XLogP0.95
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-3,4-dimethyl-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 5-ethyl-3,4-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 5-ethyl-3,4-dimethyl-1H-pyridazin-6-one (CID 134913192) is 5-ethyl-3,4-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-ethyl-3,4-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-ethyl-3,4-dimethyl-1H-pyridazin-6-one is CCc1c(C)c(C)n[nH]c1=O.
What is the InChIKey of 5-ethyl-3,4-dimethyl-1H-pyridazin-6-one?
The InChIKey is WMPSVQFBISBWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-7-5(2)6(3)9-10-8(7)11/h4H2,1-3H3,(H,10,11).
What are the key properties of 5-ethyl-3,4-dimethyl-1H-pyridazin-6-one?
5-ethyl-3,4-dimethyl-1H-pyridazin-6-one has a molecular weight of 152.20 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 134913192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).