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

C8H9N3O — CID 143506915

IUPAC2,3-dimethyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
SMILESCc1[nH]c2cn[nH]c(=O)c2c1C
InChIInChI=1S/C8H9N3O/c1-4-5(2)10-6-3-9-11-8(12)7(4)6/h3,10H,1-2H3,(H,11,12)
InChIKeyIMODWJJURQMKHE-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.87
Rot. Bonds

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

2,3-dimethyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one (PubChem CID 143506915) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2,3-dimethyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
PubChem CID143506915
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2,3-dimethyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
SMILESCc1[nH]c2cn[nH]c(=O)c2c1C
InChIInChI=1S/C8H9N3O/c1-4-5(2)10-6-3-9-11-8(12)7(4)6/h3,10H,1-2H3,(H,11,12)
InChIKeyIMODWJJURQMKHE-UHFFFAOYSA-N
XLogP0.87
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-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

Related Compounds

3-Acetyl-2,4,5-trimethylpyrrole
CID 29375
5,7-dimethyl-6-phenyl-2H-pyrrolo[3,4-d]pyridazin-1-one
CID 2742198
5,7-dimethyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one
CID 135544998
5,7-dimethyl-2-phenyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one
CID 135515097
N-[2-(diethylamino)ethyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide
CID 14444311
N-[3-(diethylamino)propyl]-2,4,5-trimethyl-1H-pyrrole-3-carboxamide
CID 14444312
2,5,7-trimethyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one
CID 135502832
5,6,7-trimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
CID 13257548
2,4-dimethyl-1H-pyrrole-3-carbohydrazide
CID 261885
Sunitinib Impurity J
CID 135470409
2-Phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
CID 135426722
3-Methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
CID 135426729

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The IUPAC name of 2,3-dimethyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one (CID 143506915) is 2,3-dimethyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one.
What is the SMILES notation for 2,3-dimethyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The canonical SMILES for 2,3-dimethyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one is Cc1[nH]c2cn[nH]c(=O)c2c1C.
What is the InChIKey of 2,3-dimethyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The InChIKey is IMODWJJURQMKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-4-5(2)10-6-3-9-11-8(12)7(4)6/h3,10H,1-2H3,(H,11,12).
What are the key properties of 2,3-dimethyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
2,3-dimethyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one has a molecular weight of 163.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one is sourced from PubChem (CID 143506915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).