2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione

C11H9N3O2 — CID 171377880

IUPAC2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(/N=C/c2ccccc2)[nH]1
InChIInChI=1S/C11H9N3O2/c15-10-6-7-11(16)14(13-10)12-8-9-4-2-1-3-5-9/h1-8H,(H,13,15)/b12-8+
InChIKeyIVRIPVUOQZNFRI-XYOKQWHBSA-N
MW215.21 g/mol
LogP0.42
Rot. Bonds2

About 2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione

2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione (PubChem CID 171377880) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione
PubChem CID171377880
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(/N=C/c2ccccc2)[nH]1
InChIInChI=1S/C11H9N3O2/c15-10-6-7-11(16)14(13-10)12-8-9-4-2-1-3-5-9/h1-8H,(H,13,15)/b12-8+
InChIKeyIVRIPVUOQZNFRI-XYOKQWHBSA-N
XLogP0.42
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione (CID 171377880) is 2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(/N=C/c2ccccc2)[nH]1.
What is the InChIKey of 2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione?
The InChIKey is IVRIPVUOQZNFRI-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-10-6-7-11(16)14(13-10)12-8-9-4-2-1-3-5-9/h1-8H,(H,13,15)/b12-8+.
What are the key properties of 2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione?
2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione has a molecular weight of 215.21 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-benzylideneamino]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 171377880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).