2-(2-methylphenyl)-1H-pyridazine-3,6-dione

C11H10N2O2 — CID 604004

IUPAC2-(2-methylphenyl)-1H-pyridazine-3,6-dione
SMILESCc1ccccc1-n1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H10N2O2/c1-8-4-2-3-5-9(8)13-11(15)7-6-10(14)12-13/h2-7H,1H3,(H,12,14)
InChIKeyUZVFLTARHBHFPT-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.83
Rot. Bonds1

About 2-(2-methylphenyl)-1H-pyridazine-3,6-dione

2-(2-methylphenyl)-1H-pyridazine-3,6-dione (PubChem CID 604004) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-methylphenyl)-1H-pyridazine-3,6-dione
PubChem CID604004
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(2-methylphenyl)-1H-pyridazine-3,6-dione
SMILESCc1ccccc1-n1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H10N2O2/c1-8-4-2-3-5-9(8)13-11(15)7-6-10(14)12-13/h2-7H,1H3,(H,12,14)
InChIKeyUZVFLTARHBHFPT-UHFFFAOYSA-N
XLogP0.83
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-methylphenyl)-1H-pyridazine-3,6-dione (CID 604004) is 2-(2-methylphenyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-methylphenyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-methylphenyl)-1H-pyridazine-3,6-dione is Cc1ccccc1-n1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(2-methylphenyl)-1H-pyridazine-3,6-dione?
The InChIKey is UZVFLTARHBHFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-4-2-3-5-9(8)13-11(15)7-6-10(14)12-13/h2-7H,1H3,(H,12,14).
What are the key properties of 2-(2-methylphenyl)-1H-pyridazine-3,6-dione?
2-(2-methylphenyl)-1H-pyridazine-3,6-dione has a molecular weight of 202.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 604004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).