7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one

C11H10N2O2 — CID 3087509

IUPAC7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
SMILESO=C1CC2Cc3cc(O)ccc3C2=NN1
InChIInChI=1S/C11H10N2O2/c14-8-1-2-9-6(4-8)3-7-5-10(15)12-13-11(7)9/h1-2,4,7,14H,3,5H2,(H,12,15)
InChIKeyHRUFLRSTTUAWHE-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.79
Rot. Bonds

About 7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one

7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one (PubChem CID 3087509) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one.

Molecular Properties

Compound Name7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
PubChem CID3087509
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
SMILESO=C1CC2Cc3cc(O)ccc3C2=NN1
InChIInChI=1S/C11H10N2O2/c14-8-1-2-9-6(4-8)3-7-5-10(15)12-13-11(7)9/h1-2,4,7,14H,3,5H2,(H,12,15)
InChIKeyHRUFLRSTTUAWHE-UHFFFAOYSA-N
XLogP0.79
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

Analyze 7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
The IUPAC name of 7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one (CID 3087509) is 7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one.
What is the SMILES notation for 7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
The canonical SMILES for 7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one is O=C1CC2Cc3cc(O)ccc3C2=NN1.
What is the InChIKey of 7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
The InChIKey is HRUFLRSTTUAWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-8-1-2-9-6(4-8)3-7-5-10(15)12-13-11(7)9/h1-2,4,7,14H,3,5H2,(H,12,15).
What are the key properties of 7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one has a molecular weight of 202.21 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one is sourced from PubChem (CID 3087509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).