pyrrolo[3,4-d]pyridazine-5,7-dione

C6H3N3O2 — CID 130684499

IUPACpyrrolo[3,4-d]pyridazine-5,7-dione
SMILESO=C1NC(=O)c2cnncc21
InChIInChI=1S/C6H3N3O2/c10-5-3-1-7-8-2-4(3)6(11)9-5/h1-2H,(H,9,10,11)
InChIKeyNTQPPHRXGJKBGF-UHFFFAOYSA-N
MW149.11 g/mol
LogP-0.64
Rot. Bonds

About pyrrolo[3,4-d]pyridazine-5,7-dione

pyrrolo[3,4-d]pyridazine-5,7-dione (PubChem CID 130684499) has the molecular formula C6H3N3O2 and a molecular weight of 149.11 g/mol. Its IUPAC name is pyrrolo[3,4-d]pyridazine-5,7-dione.

Molecular Properties

Compound Namepyrrolo[3,4-d]pyridazine-5,7-dione
PubChem CID130684499
Molecular FormulaC6H3N3O2
Molecular Weight149.11 g/mol
Exact Mass149.02
IUPAC Namepyrrolo[3,4-d]pyridazine-5,7-dione
SMILESO=C1NC(=O)c2cnncc21
InChIInChI=1S/C6H3N3O2/c10-5-3-1-7-8-2-4(3)6(11)9-5/h1-2H,(H,9,10,11)
InChIKeyNTQPPHRXGJKBGF-UHFFFAOYSA-N
XLogP-0.64
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,4-d]pyridazine-5,7-dione?
The IUPAC name of pyrrolo[3,4-d]pyridazine-5,7-dione (CID 130684499) is pyrrolo[3,4-d]pyridazine-5,7-dione.
What is the SMILES notation for pyrrolo[3,4-d]pyridazine-5,7-dione?
The canonical SMILES for pyrrolo[3,4-d]pyridazine-5,7-dione is O=C1NC(=O)c2cnncc21.
What is the InChIKey of pyrrolo[3,4-d]pyridazine-5,7-dione?
The InChIKey is NTQPPHRXGJKBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O2/c10-5-3-1-7-8-2-4(3)6(11)9-5/h1-2H,(H,9,10,11).
What are the key properties of pyrrolo[3,4-d]pyridazine-5,7-dione?
pyrrolo[3,4-d]pyridazine-5,7-dione has a molecular weight of 149.11 g/mol, XLogP of -0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,4-d]pyridazine-5,7-dione is sourced from PubChem (CID 130684499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).