6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one

C8H9F3N2O — CID 122547245

IUPAC6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)c1ccc(=O)n(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c1-5(2)6-3-4-7(14)13(12-6)8(9,10)11/h3-5H,1-2H3
InChIKeyAYMWZJSXUQTCLD-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.84
Rot. Bonds1

About 6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one

6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one (PubChem CID 122547245) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one
PubChem CID122547245
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)c1ccc(=O)n(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c1-5(2)6-3-4-7(14)13(12-6)8(9,10)11/h3-5H,1-2H3
InChIKeyAYMWZJSXUQTCLD-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one 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-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one (CID 122547245) is 6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one is CC(C)c1ccc(=O)n(C(F)(F)F)n1.
What is the InChIKey of 6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one?
The InChIKey is AYMWZJSXUQTCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5(2)6-3-4-7(14)13(12-6)8(9,10)11/h3-5H,1-2H3.
What are the key properties of 6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one?
6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one has a molecular weight of 206.17 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 122547245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).