2-benzyl-1H-pyridazine-3,6-dione

C11H10N2O2 — CID 683539

IUPAC2-benzyl-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(Cc2ccccc2)[nH]1
InChIInChI=1S/C11H10N2O2/c14-10-6-7-11(15)13(12-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14)
InChIKeyJXOUKUODPDOMDY-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.58
Rot. Bonds2

About 2-benzyl-1H-pyridazine-3,6-dione

2-benzyl-1H-pyridazine-3,6-dione (PubChem CID 683539) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-benzyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-benzyl-1H-pyridazine-3,6-dione
PubChem CID683539
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-benzyl-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(Cc2ccccc2)[nH]1
InChIInChI=1S/C11H10N2O2/c14-10-6-7-11(15)13(12-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14)
InChIKeyJXOUKUODPDOMDY-UHFFFAOYSA-N
XLogP0.58
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-benzyl-1H-pyridazine-3,6-dione (CID 683539) is 2-benzyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-benzyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-benzyl-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(Cc2ccccc2)[nH]1.
What is the InChIKey of 2-benzyl-1H-pyridazine-3,6-dione?
The InChIKey is JXOUKUODPDOMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-10-6-7-11(15)13(12-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14).
What are the key properties of 2-benzyl-1H-pyridazine-3,6-dione?
2-benzyl-1H-pyridazine-3,6-dione has a molecular weight of 202.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 683539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).