6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one

C15H11N3O4 — CID 7659492

IUPAC6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccco2)nn1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O4/c19-15-8-7-13(14-2-1-9-22-14)16-17(15)10-11-3-5-12(6-4-11)18(20)21/h1-9H,10H2
InChIKeyIHVJOLBCEVBTNG-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.46
Rot. Bonds4

About 6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one

6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one (PubChem CID 7659492) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one
PubChem CID7659492
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccco2)nn1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O4/c19-15-8-7-13(14-2-1-9-22-14)16-17(15)10-11-3-5-12(6-4-11)18(20)21/h1-9H,10H2
InChIKeyIHVJOLBCEVBTNG-UHFFFAOYSA-N
XLogP2.46
TPSA91.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]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 6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one (CID 7659492) is 6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one is O=c1ccc(-c2ccco2)nn1Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one?
The InChIKey is IHVJOLBCEVBTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c19-15-8-7-13(14-2-1-9-22-14)16-17(15)10-11-3-5-12(6-4-11)18(20)21/h1-9H,10H2.
What are the key properties of 6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one?
6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one has a molecular weight of 297.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 7659492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).