3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one

C16H9N3O — CID 5287157

IUPAC3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3ccccn3)cc21
InChIInChI=1S/C16H9N3O/c20-16-11-6-2-1-5-10(11)15-12(16)9-14(18-19-15)13-7-3-4-8-17-13/h1-9H
InChIKeyRYKZFLNYPLAFIE-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.75
Rot. Bonds1

About 3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one

3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one (PubChem CID 5287157) has the molecular formula C16H9N3O and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one
PubChem CID5287157
Molecular FormulaC16H9N3O
Molecular Weight259.27 g/mol
Exact Mass259.07
IUPAC Name3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3ccccn3)cc21
InChIInChI=1S/C16H9N3O/c20-16-11-6-2-1-5-10(11)15-12(16)9-14(18-19-15)13-7-3-4-8-17-13/h1-9H
InChIKeyRYKZFLNYPLAFIE-UHFFFAOYSA-N
XLogP2.75
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one (CID 5287157) is 3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one is O=C1c2ccccc2-c2nnc(-c3ccccn3)cc21.
What is the InChIKey of 3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one?
The InChIKey is RYKZFLNYPLAFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3O/c20-16-11-6-2-1-5-10(11)15-12(16)9-14(18-19-15)13-7-3-4-8-17-13/h1-9H.
What are the key properties of 3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one?
3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one has a molecular weight of 259.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylindeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 5287157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).