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

C6H8N2O — CID 123691408

IUPAC5,6-dimethyl-1H-pyridazin-4-one
SMILESCc1[nH]ncc(=O)c1C
InChIInChI=1S/C6H8N2O/c1-4-5(2)8-7-3-6(4)9/h3H,1-2H3,(H,8,9)
InChIKeyKKVFWRFMHGPVLO-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.39
Rot. Bonds

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

5,6-dimethyl-1H-pyridazin-4-one (PubChem CID 123691408) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 5,6-dimethyl-1H-pyridazin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-1H-pyridazin-4-one
PubChem CID123691408
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name5,6-dimethyl-1H-pyridazin-4-one
SMILESCc1[nH]ncc(=O)c1C
InChIInChI=1S/C6H8N2O/c1-4-5(2)8-7-3-6(4)9/h3H,1-2H3,(H,8,9)
InChIKeyKKVFWRFMHGPVLO-UHFFFAOYSA-N
XLogP0.39
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6-dimethyl-1H-pyridazin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfinyl]-1H-pyrazole
CID 1399641
4-bromo-5-methyl-1H-pyrazole;ethane
CID 168964269
5-methyl-1H-pyrazol-4-amine;dihydrochloride
CID 50998688
2,3-dimethyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
CID 143506915
1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazolidine-2,4,5-trione
CID 62039834
1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen
CID 142236647
N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
CID 126995059
4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione
CID 107409780
4-isocyano-5-methyl-1H-pyrazole
CID 20736942
6-methyl-1,5,6,7-tetrahydroindazol-4-one
CID 17027693
(E)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enal
CID 135349719
5-fluoro-8-methyl-1H-cinnolin-4-one
CID 163404050

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1H-pyridazin-4-one?
The IUPAC name of 5,6-dimethyl-1H-pyridazin-4-one (CID 123691408) is 5,6-dimethyl-1H-pyridazin-4-one.
What is the SMILES notation for 5,6-dimethyl-1H-pyridazin-4-one?
The canonical SMILES for 5,6-dimethyl-1H-pyridazin-4-one is Cc1[nH]ncc(=O)c1C.
What is the InChIKey of 5,6-dimethyl-1H-pyridazin-4-one?
The InChIKey is KKVFWRFMHGPVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-5(2)8-7-3-6(4)9/h3H,1-2H3,(H,8,9).
What are the key properties of 5,6-dimethyl-1H-pyridazin-4-one?
5,6-dimethyl-1H-pyridazin-4-one has a molecular weight of 124.14 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1H-pyridazin-4-one is sourced from PubChem (CID 123691408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).