2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione

C12H12N2O2 — CID 608119

IUPAC2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione
SMILESCc1ccc(-n2[nH]c(=O)ccc2=O)c(C)c1
InChIInChI=1S/C12H12N2O2/c1-8-3-4-10(9(2)7-8)14-12(16)6-5-11(15)13-14/h3-7H,1-2H3,(H,13,15)
InChIKeyFMMPLVTZHMERTR-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.14
Rot. Bonds1

About 2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione

2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione (PubChem CID 608119) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione
PubChem CID608119
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione
SMILESCc1ccc(-n2[nH]c(=O)ccc2=O)c(C)c1
InChIInChI=1S/C12H12N2O2/c1-8-3-4-10(9(2)7-8)14-12(16)6-5-11(15)13-14/h3-7H,1-2H3,(H,13,15)
InChIKeyFMMPLVTZHMERTR-UHFFFAOYSA-N
XLogP1.14
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione (CID 608119) is 2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione is Cc1ccc(-n2[nH]c(=O)ccc2=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione?
The InChIKey is FMMPLVTZHMERTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-3-4-10(9(2)7-8)14-12(16)6-5-11(15)13-14/h3-7H,1-2H3,(H,13,15).
What are the key properties of 2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione?
2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione has a molecular weight of 216.24 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 608119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).