2-pyridazin-3-yl-3H-isoindol-1-one

C12H9N3O — CID 154158862

IUPAC2-pyridazin-3-yl-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1cccnn1
InChIInChI=1S/C12H9N3O/c16-12-10-5-2-1-4-9(10)8-15(12)11-6-3-7-13-14-11/h1-7H,8H2
InChIKeyXXTTVRWIGJDNLH-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.64
Rot. Bonds1

About 2-pyridazin-3-yl-3H-isoindol-1-one

2-pyridazin-3-yl-3H-isoindol-1-one (PubChem CID 154158862) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-pyridazin-3-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-pyridazin-3-yl-3H-isoindol-1-one
PubChem CID154158862
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name2-pyridazin-3-yl-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1cccnn1
InChIInChI=1S/C12H9N3O/c16-12-10-5-2-1-4-9(10)8-15(12)11-6-3-7-13-14-11/h1-7H,8H2
InChIKeyXXTTVRWIGJDNLH-UHFFFAOYSA-N
XLogP1.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yl-3H-isoindol-1-one?
The IUPAC name of 2-pyridazin-3-yl-3H-isoindol-1-one (CID 154158862) is 2-pyridazin-3-yl-3H-isoindol-1-one.
What is the SMILES notation for 2-pyridazin-3-yl-3H-isoindol-1-one?
The canonical SMILES for 2-pyridazin-3-yl-3H-isoindol-1-one is O=C1c2ccccc2CN1c1cccnn1.
What is the InChIKey of 2-pyridazin-3-yl-3H-isoindol-1-one?
The InChIKey is XXTTVRWIGJDNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-10-5-2-1-4-9(10)8-15(12)11-6-3-7-13-14-11/h1-7H,8H2.
What are the key properties of 2-pyridazin-3-yl-3H-isoindol-1-one?
2-pyridazin-3-yl-3H-isoindol-1-one has a molecular weight of 211.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-yl-3H-isoindol-1-one is sourced from PubChem (CID 154158862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).