3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one

C13H11N3O — CID 135426729

IUPAC3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
SMILESCc1c(-c2ccccc2)[nH]c2cn[nH]c(=O)c12
InChIInChI=1S/C13H11N3O/c1-8-11-10(7-14-16-13(11)17)15-12(8)9-5-3-2-4-6-9/h2-7,15H,1H3,(H,16,17)
InChIKeyDPTXIPYEVFMFTE-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.23
Rot. Bonds1

About 3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one

3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one (PubChem CID 135426729) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
PubChem CID135426729
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
SMILESCc1c(-c2ccccc2)[nH]c2cn[nH]c(=O)c12
InChIInChI=1S/C13H11N3O/c1-8-11-10(7-14-16-13(11)17)15-12(8)9-5-3-2-4-6-9/h2-7,15H,1H3,(H,16,17)
InChIKeyDPTXIPYEVFMFTE-UHFFFAOYSA-N
XLogP2.23
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The IUPAC name of 3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one (CID 135426729) is 3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one.
What is the SMILES notation for 3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The canonical SMILES for 3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one is Cc1c(-c2ccccc2)[nH]c2cn[nH]c(=O)c12.
What is the InChIKey of 3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The InChIKey is DPTXIPYEVFMFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-11-10(7-14-16-13(11)17)15-12(8)9-5-3-2-4-6-9/h2-7,15H,1H3,(H,16,17).
What are the key properties of 3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one has a molecular weight of 225.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one is sourced from PubChem (CID 135426729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).