1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione

C7H10N2O2 — CID 118624528

IUPAC1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione
SMILESO=C1CN2NCCCC2C1=O
InChIInChI=1S/C7H10N2O2/c10-6-4-9-5(7(6)11)2-1-3-8-9/h5,8H,1-4H2
InChIKeyWEFROVUETYTAJW-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.89
Rot. Bonds

About 1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione

1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione (PubChem CID 118624528) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione.

Molecular Properties

Compound Name1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione
PubChem CID118624528
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione
SMILESO=C1CN2NCCCC2C1=O
InChIInChI=1S/C7H10N2O2/c10-6-4-9-5(7(6)11)2-1-3-8-9/h5,8H,1-4H2
InChIKeyWEFROVUETYTAJW-UHFFFAOYSA-N
XLogP-0.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione?
The IUPAC name of 1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione (CID 118624528) is 1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione.
What is the SMILES notation for 1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione?
The canonical SMILES for 1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione is O=C1CN2NCCCC2C1=O.
What is the InChIKey of 1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione?
The InChIKey is WEFROVUETYTAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-6-4-9-5(7(6)11)2-1-3-8-9/h5,8H,1-4H2.
What are the key properties of 1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione?
1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione has a molecular weight of 154.17 g/mol, XLogP of -0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,7-hexahydropyrrolo[1,2-b]pyridazine-5,6-dione is sourced from PubChem (CID 118624528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).