6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one

C10H11F3N2O2 — CID 126857345

IUPAC6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC(O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)8(16)5-15-9(17)4-3-7(14-15)6-1-2-6/h3-4,6,8,16H,1-2,5H2
InChIKeyKNKTVOHNVQOTHC-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.04
Rot. Bonds3

About 6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one

6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one (PubChem CID 126857345) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one
PubChem CID126857345
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC(O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)8(16)5-15-9(17)4-3-7(14-15)6-1-2-6/h3-4,6,8,16H,1-2,5H2
InChIKeyKNKTVOHNVQOTHC-UHFFFAOYSA-N
XLogP1.04
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one (CID 126857345) is 6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one is O=c1ccc(C2CC2)nn1CC(O)C(F)(F)F.
What is the InChIKey of 6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one?
The InChIKey is KNKTVOHNVQOTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)8(16)5-15-9(17)4-3-7(14-15)6-1-2-6/h3-4,6,8,16H,1-2,5H2.
What are the key properties of 6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one?
6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one has a molecular weight of 248.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one is sourced from PubChem (CID 126857345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).