5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one

C8H9N3O — CID 135544998

IUPAC5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one
SMILESCc1[nH]c(C)c2c(=O)[nH]ncc12
InChIInChI=1S/C8H9N3O/c1-4-6-3-9-11-8(12)7(6)5(2)10-4/h3,10H,1-2H3,(H,11,12)
InChIKeyRPZBQNYRWHZMBY-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.87
Rot. Bonds

About 5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one

5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one (PubChem CID 135544998) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one
PubChem CID135544998
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one
SMILESCc1[nH]c(C)c2c(=O)[nH]ncc12
InChIInChI=1S/C8H9N3O/c1-4-6-3-9-11-8(12)7(6)5(2)10-4/h3,10H,1-2H3,(H,11,12)
InChIKeyRPZBQNYRWHZMBY-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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one?
The IUPAC name of 5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one (CID 135544998) is 5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one.
What is the SMILES notation for 5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one?
The canonical SMILES for 5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one is Cc1[nH]c(C)c2c(=O)[nH]ncc12.
What is the InChIKey of 5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one?
The InChIKey is RPZBQNYRWHZMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-4-6-3-9-11-8(12)7(6)5(2)10-4/h3,10H,1-2H3,(H,11,12).
What are the key properties of 5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one?
5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-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 5,7-dimethyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one is sourced from PubChem (CID 135544998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).