2-(2-propan-2-ylphenyl)-1H-pyridazine-3,6-dione

C13H14N2O2 — CID 611589

IUPAC2-(2-propan-2-ylphenyl)-1H-pyridazine-3,6-dione
SMILESCC(C)c1ccccc1-n1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H14N2O2/c1-9(2)10-5-3-4-6-11(10)15-13(17)8-7-12(16)14-15/h3-9H,1-2H3,(H,14,16)
InChIKeyFUMGKFBJWHYOII-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.65
Rot. Bonds2

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

2-(2-propan-2-ylphenyl)-1H-pyridazine-3,6-dione (PubChem CID 611589) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-propan-2-ylphenyl)-1H-pyridazine-3,6-dione
PubChem CID611589
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(2-propan-2-ylphenyl)-1H-pyridazine-3,6-dione
SMILESCC(C)c1ccccc1-n1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H14N2O2/c1-9(2)10-5-3-4-6-11(10)15-13(17)8-7-12(16)14-15/h3-9H,1-2H3,(H,14,16)
InChIKeyFUMGKFBJWHYOII-UHFFFAOYSA-N
XLogP1.65
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-propan-2-ylphenyl)-1H-pyridazine-3,6-dione (CID 611589) is 2-(2-propan-2-ylphenyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-propan-2-ylphenyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-propan-2-ylphenyl)-1H-pyridazine-3,6-dione is CC(C)c1ccccc1-n1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(2-propan-2-ylphenyl)-1H-pyridazine-3,6-dione?
The InChIKey is FUMGKFBJWHYOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(2)10-5-3-4-6-11(10)15-13(17)8-7-12(16)14-15/h3-9H,1-2H3,(H,14,16).
What are the key properties of 2-(2-propan-2-ylphenyl)-1H-pyridazine-3,6-dione?
2-(2-propan-2-ylphenyl)-1H-pyridazine-3,6-dione has a molecular weight of 230.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 611589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).