3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one

C11H7F3N2O — CID 10610059

IUPAC3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)8-6-9(15-16-10(8)17)7-4-2-1-3-5-7/h1-6H,(H,16,17)
InChIKeyUHVAXGANCIBPTG-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.46
Rot. Bonds1

About 3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one

3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 10610059) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID10610059
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)8-6-9(15-16-10(8)17)7-4-2-1-3-5-7/h1-6H,(H,16,17)
InChIKeyUHVAXGANCIBPTG-UHFFFAOYSA-N
XLogP2.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 10610059) is 3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one is O=c1[nH]nc(-c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of 3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is UHVAXGANCIBPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)8-6-9(15-16-10(8)17)7-4-2-1-3-5-7/h1-6H,(H,16,17).
What are the key properties of 3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 240.18 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 10610059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).