phenyl(pyridazin-3-yl)methanone

C11H8N2O — CID 11008594

IUPACphenyl(pyridazin-3-yl)methanone
SMILESO=C(c1ccccc1)c1cccnn1
InChIInChI=1S/C11H8N2O/c14-11(9-5-2-1-3-6-9)10-7-4-8-12-13-10/h1-8H
InChIKeyVDWSVBMVZLRATD-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.71
Rot. Bonds2

About phenyl(pyridazin-3-yl)methanone

phenyl(pyridazin-3-yl)methanone (PubChem CID 11008594) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is phenyl(pyridazin-3-yl)methanone.

Molecular Properties

Compound Namephenyl(pyridazin-3-yl)methanone
PubChem CID11008594
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Namephenyl(pyridazin-3-yl)methanone
SMILESO=C(c1ccccc1)c1cccnn1
InChIInChI=1S/C11H8N2O/c14-11(9-5-2-1-3-6-9)10-7-4-8-12-13-10/h1-8H
InChIKeyVDWSVBMVZLRATD-UHFFFAOYSA-N
XLogP1.71
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl(pyridazin-3-yl)methanone?
The IUPAC name of phenyl(pyridazin-3-yl)methanone (CID 11008594) is phenyl(pyridazin-3-yl)methanone.
What is the SMILES notation for phenyl(pyridazin-3-yl)methanone?
The canonical SMILES for phenyl(pyridazin-3-yl)methanone is O=C(c1ccccc1)c1cccnn1.
What is the InChIKey of phenyl(pyridazin-3-yl)methanone?
The InChIKey is VDWSVBMVZLRATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-11(9-5-2-1-3-6-9)10-7-4-8-12-13-10/h1-8H.
What are the key properties of phenyl(pyridazin-3-yl)methanone?
phenyl(pyridazin-3-yl)methanone has a molecular weight of 184.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyridazin-3-yl)methanone is sourced from PubChem (CID 11008594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).