6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C9H9F3N2O — CID 126857342

IUPAC6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC(F)(F)F
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)5-14-8(15)4-3-7(13-14)6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyKPLABCOFJSNDBW-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.68
Rot. Bonds2

About 6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one

6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 126857342) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID126857342
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC(F)(F)F
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)5-14-8(15)4-3-7(13-14)6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyKPLABCOFJSNDBW-UHFFFAOYSA-N
XLogP1.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 126857342) is 6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one is O=c1ccc(C2CC2)nn1CC(F)(F)F.
What is the InChIKey of 6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is KPLABCOFJSNDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)5-14-8(15)4-3-7(13-14)6-1-2-6/h3-4,6H,1-2,5H2.
What are the key properties of 6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 218.18 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 126857342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).