2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one

C8H9F3N2O — CID 162611345

IUPAC2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCCn1ncc(C(F)(F)F)c(C)c1=O
InChIInChI=1S/C8H9F3N2O/c1-3-13-7(14)5(2)6(4-12-13)8(9,10)11/h4H,3H2,1-2H3
InChIKeyIVBVEIPUHBYNKW-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.59
Rot. Bonds1

About 2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one

2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 162611345) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one
PubChem CID162611345
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCCn1ncc(C(F)(F)F)c(C)c1=O
InChIInChI=1S/C8H9F3N2O/c1-3-13-7(14)5(2)6(4-12-13)8(9,10)11/h4H,3H2,1-2H3
InChIKeyIVBVEIPUHBYNKW-UHFFFAOYSA-N
XLogP1.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one (CID 162611345) is 2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one is CCn1ncc(C(F)(F)F)c(C)c1=O.
What is the InChIKey of 2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is IVBVEIPUHBYNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-3-13-7(14)5(2)6(4-12-13)8(9,10)11/h4H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one?
2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 206.17 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 162611345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).