2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one

C8H7F3N2O — CID 126857486

IUPAC2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1C1CC1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)6-3-4-7(14)13(12-6)5-1-2-5/h3-5H,1-2H2
InChIKeyFCHIVOWPTNFQCJ-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.60
Rot. Bonds1

About 2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one

2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 126857486) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one
PubChem CID126857486
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1C1CC1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)6-3-4-7(14)13(12-6)5-1-2-5/h3-5H,1-2H2
InChIKeyFCHIVOWPTNFQCJ-UHFFFAOYSA-N
XLogP1.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one (CID 126857486) is 2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one is O=c1ccc(C(F)(F)F)nn1C1CC1.
What is the InChIKey of 2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is FCHIVOWPTNFQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-4-7(14)13(12-6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one?
2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 204.15 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 126857486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).