4-methyl-2-phenyl-1H-pyridazine-3,6-dione

C11H10N2O2 — CID 2738086

IUPAC4-methyl-2-phenyl-1H-pyridazine-3,6-dione
SMILESCc1cc(=O)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C11H10N2O2/c1-8-7-10(14)12-13(11(8)15)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,14)
InChIKeyMKHTVVUEZRLOOD-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.83
Rot. Bonds1

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

4-methyl-2-phenyl-1H-pyridazine-3,6-dione (PubChem CID 2738086) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-methyl-2-phenyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name4-methyl-2-phenyl-1H-pyridazine-3,6-dione
PubChem CID2738086
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-methyl-2-phenyl-1H-pyridazine-3,6-dione
SMILESCc1cc(=O)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C11H10N2O2/c1-8-7-10(14)12-13(11(8)15)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,14)
InChIKeyMKHTVVUEZRLOOD-UHFFFAOYSA-N
XLogP0.83
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-phenyl-1H-pyridazine-3,6-dione 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 4-methyl-2-phenyl-1H-pyridazine-3,6-dione?
The IUPAC name of 4-methyl-2-phenyl-1H-pyridazine-3,6-dione (CID 2738086) is 4-methyl-2-phenyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 4-methyl-2-phenyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 4-methyl-2-phenyl-1H-pyridazine-3,6-dione is Cc1cc(=O)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 4-methyl-2-phenyl-1H-pyridazine-3,6-dione?
The InChIKey is MKHTVVUEZRLOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-7-10(14)12-13(11(8)15)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,14).
What are the key properties of 4-methyl-2-phenyl-1H-pyridazine-3,6-dione?
4-methyl-2-phenyl-1H-pyridazine-3,6-dione has a molecular weight of 202.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 2738086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).