3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione

C8H9N3O3 — CID 10797910

IUPAC3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione
SMILESCOC1=NNC2=C(C1)C(=O)N(C)C2=O
InChIInChI=1S/C8H9N3O3/c1-11-7(12)4-3-5(14-2)9-10-6(4)8(11)13/h10H,3H2,1-2H3
InChIKeyCUKBRJAZBHGNMY-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.81
Rot. Bonds

About 3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione

3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione (PubChem CID 10797910) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione.

Molecular Properties

Compound Name3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione
PubChem CID10797910
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione
SMILESCOC1=NNC2=C(C1)C(=O)N(C)C2=O
InChIInChI=1S/C8H9N3O3/c1-11-7(12)4-3-5(14-2)9-10-6(4)8(11)13/h10H,3H2,1-2H3
InChIKeyCUKBRJAZBHGNMY-UHFFFAOYSA-N
XLogP-0.81
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione?
The IUPAC name of 3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione (CID 10797910) is 3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione.
What is the SMILES notation for 3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione?
The canonical SMILES for 3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione is COC1=NNC2=C(C1)C(=O)N(C)C2=O.
What is the InChIKey of 3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione?
The InChIKey is CUKBRJAZBHGNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-11-7(12)4-3-5(14-2)9-10-6(4)8(11)13/h10H,3H2,1-2H3.
What are the key properties of 3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione?
3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione has a molecular weight of 195.18 g/mol, XLogP of -0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-1,4-dihydropyrrolo[3,4-c]pyridazine-5,7-dione is sourced from PubChem (CID 10797910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).