2,4-dimethyl-1H-pyridazine-3,6-dione

C6H8N2O2 — CID 59539256

IUPAC2,4-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1cc(=O)[nH]n(C)c1=O
InChIInChI=1S/C6H8N2O2/c1-4-3-5(9)7-8(2)6(4)10/h3H,1-2H3,(H,7,9)
InChIKeyBJKFKNZFTNYJLF-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.62
Rot. Bonds

About 2,4-dimethyl-1H-pyridazine-3,6-dione

2,4-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 59539256) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2,4-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2,4-dimethyl-1H-pyridazine-3,6-dione
PubChem CID59539256
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2,4-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1cc(=O)[nH]n(C)c1=O
InChIInChI=1S/C6H8N2O2/c1-4-3-5(9)7-8(2)6(4)10/h3H,1-2H3,(H,7,9)
InChIKeyBJKFKNZFTNYJLF-UHFFFAOYSA-N
XLogP-0.62
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-1-methylpyridazin-6(1H)-one
CID 95157
4-Methylpyridazine-3,6-diol
CID 79826
2,5-dimethyl-1H-pyridazine-3,6-dione
CID 12200172
2-methyl-4-(trifluoromethyl)-1H-pyridazine-3,6-dione
CID 138715422
2,4,5-trimethyl-1H-pyridazine-3,6-dione
CID 19698464
N-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 20772294
Dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium
CID 54402027
N,N',2-trimethylprop-2-enehydrazide
CID 87503966
N'-ethyl-N,2-dimethylprop-2-enehydrazide
CID 87505070
Dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium chloride
CID 88686094
2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide
CID 118486046
2-(2-aminoethyl)-4-methyl-1H-pyridazine-3,6-dione
CID 144056584

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2,4-dimethyl-1H-pyridazine-3,6-dione (CID 59539256) is 2,4-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2,4-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2,4-dimethyl-1H-pyridazine-3,6-dione is Cc1cc(=O)[nH]n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is BJKFKNZFTNYJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-3-5(9)7-8(2)6(4)10/h3H,1-2H3,(H,7,9).
What are the key properties of 2,4-dimethyl-1H-pyridazine-3,6-dione?
2,4-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 140.14 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 59539256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).