2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one

C12H9N3O2 — CID 175803596

IUPAC2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1ccc(=O)[nH]n1
InChIInChI=1S/C12H9N3O2/c16-11-6-5-10(13-14-11)15-7-8-3-1-2-4-9(8)12(15)17/h1-6H,7H2,(H,14,16)
InChIKeyLTDZHUWZWTVCNB-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.93
Rot. Bonds1

About 2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one

2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one (PubChem CID 175803596) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one
PubChem CID175803596
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1ccc(=O)[nH]n1
InChIInChI=1S/C12H9N3O2/c16-11-6-5-10(13-14-11)15-7-8-3-1-2-4-9(8)12(15)17/h1-6H,7H2,(H,14,16)
InChIKeyLTDZHUWZWTVCNB-UHFFFAOYSA-N
XLogP0.93
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
CID 121205970
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 168517450
2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one
CID 165406387
2-[6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 157038799
2-[4-(2-methylphenyl)-2-pyridinyl]-3H-isoindol-1-one
CID 167421227
3-pyrrol-1-yl-1H-pyridazin-6-one
CID 116787461
2-stannyl-3H-isoindol-1-one
CID 151195244
5H-isoindolo[2,3-b]isoquinolin-7-one
CID 11817150
2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one
CID 69001737
2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 135351024
2-bromo-3H-isoindol-1-one
CID 86611253

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one?
The IUPAC name of 2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one (CID 175803596) is 2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one is O=C1c2ccccc2CN1c1ccc(=O)[nH]n1.
What is the InChIKey of 2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one?
The InChIKey is LTDZHUWZWTVCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-11-6-5-10(13-14-11)15-7-8-3-1-2-4-9(8)12(15)17/h1-6H,7H2,(H,14,16).
What are the key properties of 2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one?
2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one has a molecular weight of 227.22 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 175803596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).