2-benzyl-5-methyl-1H-pyridazine-3,6-dione

C12H12N2O2 — CID 561939

IUPAC2-benzyl-5-methyl-1H-pyridazine-3,6-dione
SMILESCc1cc(=O)n(Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C12H12N2O2/c1-9-7-11(15)14(13-12(9)16)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,16)
InChIKeySOLREEWSDPFJCI-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.89
Rot. Bonds2

About 2-benzyl-5-methyl-1H-pyridazine-3,6-dione

2-benzyl-5-methyl-1H-pyridazine-3,6-dione (PubChem CID 561939) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-benzyl-5-methyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-benzyl-5-methyl-1H-pyridazine-3,6-dione
PubChem CID561939
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-benzyl-5-methyl-1H-pyridazine-3,6-dione
SMILESCc1cc(=O)n(Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C12H12N2O2/c1-9-7-11(15)14(13-12(9)16)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,16)
InChIKeySOLREEWSDPFJCI-UHFFFAOYSA-N
XLogP0.89
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-benzyl-5-methyl-1H-pyridazine-3,6-dione (CID 561939) is 2-benzyl-5-methyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-benzyl-5-methyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-benzyl-5-methyl-1H-pyridazine-3,6-dione is Cc1cc(=O)n(Cc2ccccc2)[nH]c1=O.
What is the InChIKey of 2-benzyl-5-methyl-1H-pyridazine-3,6-dione?
The InChIKey is SOLREEWSDPFJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9-7-11(15)14(13-12(9)16)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,16).
What are the key properties of 2-benzyl-5-methyl-1H-pyridazine-3,6-dione?
2-benzyl-5-methyl-1H-pyridazine-3,6-dione has a molecular weight of 216.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 561939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).