6-phenylpyrido[2,3-d]pyridazin-5-one

C13H9N3O — CID 102495888

IUPAC6-phenylpyrido[2,3-d]pyridazin-5-one
SMILESO=c1c2cccnc2cnn1-c1ccccc1
InChIInChI=1S/C13H9N3O/c17-13-11-7-4-8-14-12(11)9-15-16(13)10-5-2-1-3-6-10/h1-9H
InChIKeyBYLUAXOLPHNZHV-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.78
Rot. Bonds1

About 6-phenylpyrido[2,3-d]pyridazin-5-one

6-phenylpyrido[2,3-d]pyridazin-5-one (PubChem CID 102495888) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 6-phenylpyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name6-phenylpyrido[2,3-d]pyridazin-5-one
PubChem CID102495888
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name6-phenylpyrido[2,3-d]pyridazin-5-one
SMILESO=c1c2cccnc2cnn1-c1ccccc1
InChIInChI=1S/C13H9N3O/c17-13-11-7-4-8-14-12(11)9-15-16(13)10-5-2-1-3-6-10/h1-9H
InChIKeyBYLUAXOLPHNZHV-UHFFFAOYSA-N
XLogP1.78
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-phenylpyrido[2,3-d]pyridazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-phenylpyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 6-phenylpyrido[2,3-d]pyridazin-5-one (CID 102495888) is 6-phenylpyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 6-phenylpyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 6-phenylpyrido[2,3-d]pyridazin-5-one is O=c1c2cccnc2cnn1-c1ccccc1.
What is the InChIKey of 6-phenylpyrido[2,3-d]pyridazin-5-one?
The InChIKey is BYLUAXOLPHNZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-13-11-7-4-8-14-12(11)9-15-16(13)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 6-phenylpyrido[2,3-d]pyridazin-5-one?
6-phenylpyrido[2,3-d]pyridazin-5-one has a molecular weight of 223.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylpyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 102495888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).