4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione

C12H12N2O2 — CID 59448125

IUPAC4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C12H12N2O2/c1-8-9(2)12(16)14(13-11(8)15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,15)
InChIKeyFETYWPKZEKGQFG-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.14
Rot. Bonds1

About 4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione

4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione (PubChem CID 59448125) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione
PubChem CID59448125
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C12H12N2O2/c1-8-9(2)12(16)14(13-11(8)15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,15)
InChIKeyFETYWPKZEKGQFG-UHFFFAOYSA-N
XLogP1.14
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione
CID 796608
6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione
CID 100921559
3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one
CID 69298374
4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one
CID 18342069
5-methyl-4-[1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl]-2-phenyl-1H-pyrazol-3-one
CID 147475036
5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 3162805
6-methyl-1-phenyl-2H-indazol-3-one
CID 135011697
5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one
CID 11475141
4-methyl-2-phenyl-1H-pyrazol-3-one
CID 12799760
6-chloro-2-phenyl-1H-pyridazine-3,4-dione
CID 779542
5-methyl-2-phenyl-1H-pyrazol-3-one
CID 67784781
2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)isoindole-1,3-dione
CID 4556068

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione?
The IUPAC name of 4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione (CID 59448125) is 4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione?
The InChIKey is FETYWPKZEKGQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-9(2)12(16)14(13-11(8)15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,15).
What are the key properties of 4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione?
4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione has a molecular weight of 216.24 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 59448125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).