6-oxo-N-phenyl-1H-pyridazine-3-carboxamide

C11H9N3O2 — CID 939759

IUPAC6-oxo-N-phenyl-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H9N3O2/c15-10-7-6-9(13-14-10)11(16)12-8-4-2-1-3-5-8/h1-7H,(H,12,16)(H,14,15)
InChIKeyDYGTZZJXDCTKNJ-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.02
Rot. Bonds2

About 6-oxo-N-phenyl-1H-pyridazine-3-carboxamide

6-oxo-N-phenyl-1H-pyridazine-3-carboxamide (PubChem CID 939759) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-oxo-N-phenyl-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-phenyl-1H-pyridazine-3-carboxamide
PubChem CID939759
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name6-oxo-N-phenyl-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H9N3O2/c15-10-7-6-9(13-14-10)11(16)12-8-4-2-1-3-5-8/h1-7H,(H,12,16)(H,14,15)
InChIKeyDYGTZZJXDCTKNJ-UHFFFAOYSA-N
XLogP1.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-phenyl-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-phenyl-1H-pyridazine-3-carboxamide (CID 939759) is 6-oxo-N-phenyl-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-phenyl-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-phenyl-1H-pyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-phenyl-1H-pyridazine-3-carboxamide?
The InChIKey is DYGTZZJXDCTKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-10-7-6-9(13-14-10)11(16)12-8-4-2-1-3-5-8/h1-7H,(H,12,16)(H,14,15).
What are the key properties of 6-oxo-N-phenyl-1H-pyridazine-3-carboxamide?
6-oxo-N-phenyl-1H-pyridazine-3-carboxamide has a molecular weight of 215.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-phenyl-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 939759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).