4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one

C15H9N5O4 — CID 706768

IUPAC4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESO=c1[nH]nc(-c2ccco2)c2cn(-c3cccc([N+](=O)[O-])c3)nc12
InChIInChI=1S/C15H9N5O4/c21-15-14-11(13(16-17-15)12-5-2-6-24-12)8-19(18-14)9-3-1-4-10(7-9)20(22)23/h1-8H,(H,17,21)
InChIKeyFLZQYTBSMUFZJJ-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.28
Rot. Bonds3

About 4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one

4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one (PubChem CID 706768) has the molecular formula C15H9N5O4 and a molecular weight of 323.27 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one
PubChem CID706768
Molecular FormulaC15H9N5O4
Molecular Weight323.27 g/mol
Exact Mass323.07
IUPAC Name4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESO=c1[nH]nc(-c2ccco2)c2cn(-c3cccc([N+](=O)[O-])c3)nc12
InChIInChI=1S/C15H9N5O4/c21-15-14-11(13(16-17-15)12-5-2-6-24-12)8-19(18-14)9-3-1-4-10(7-9)20(22)23/h1-8H,(H,17,21)
InChIKeyFLZQYTBSMUFZJJ-UHFFFAOYSA-N
XLogP2.28
TPSA119.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-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 4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one (CID 706768) is 4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one is O=c1[nH]nc(-c2ccco2)c2cn(-c3cccc([N+](=O)[O-])c3)nc12.
What is the InChIKey of 4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is FLZQYTBSMUFZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5O4/c21-15-14-11(13(16-17-15)12-5-2-6-24-12)8-19(18-14)9-3-1-4-10(7-9)20(22)23/h1-8H,(H,17,21).
What are the key properties of 4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one?
4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 323.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-(3-nitrophenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 706768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).