(6-oxo-1-phenylpyridazin-3-yl) benzoate

C17H12N2O3 — CID 1472474

IUPAC(6-oxo-1-phenylpyridazin-3-yl) benzoate
SMILESO=C(Oc1ccc(=O)n(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C17H12N2O3/c20-16-12-11-15(18-19(16)14-9-5-2-6-10-14)22-17(21)13-7-3-1-4-8-13/h1-12H
InChIKeyHWJFYGVXPMPIGY-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.45
Rot. Bonds3

About (6-oxo-1-phenylpyridazin-3-yl) benzoate

(6-oxo-1-phenylpyridazin-3-yl) benzoate (PubChem CID 1472474) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is (6-oxo-1-phenylpyridazin-3-yl) benzoate.

Molecular Properties

Compound Name(6-oxo-1-phenylpyridazin-3-yl) benzoate
PubChem CID1472474
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name(6-oxo-1-phenylpyridazin-3-yl) benzoate
SMILESO=C(Oc1ccc(=O)n(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C17H12N2O3/c20-16-12-11-15(18-19(16)14-9-5-2-6-10-14)22-17(21)13-7-3-1-4-8-13/h1-12H
InChIKeyHWJFYGVXPMPIGY-UHFFFAOYSA-N
XLogP2.45
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-oxo-1-phenylpyridazin-3-yl) benzoate 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-oxo-1-phenylpyridazin-3-yl) benzoate?
The IUPAC name of (6-oxo-1-phenylpyridazin-3-yl) benzoate (CID 1472474) is (6-oxo-1-phenylpyridazin-3-yl) benzoate.
What is the SMILES notation for (6-oxo-1-phenylpyridazin-3-yl) benzoate?
The canonical SMILES for (6-oxo-1-phenylpyridazin-3-yl) benzoate is O=C(Oc1ccc(=O)n(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of (6-oxo-1-phenylpyridazin-3-yl) benzoate?
The InChIKey is HWJFYGVXPMPIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-16-12-11-15(18-19(16)14-9-5-2-6-10-14)22-17(21)13-7-3-1-4-8-13/h1-12H.
What are the key properties of (6-oxo-1-phenylpyridazin-3-yl) benzoate?
(6-oxo-1-phenylpyridazin-3-yl) benzoate has a molecular weight of 292.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-1-phenylpyridazin-3-yl) benzoate is sourced from PubChem (CID 1472474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).