2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one

C11H11F3N4O2 — CID 84589605

IUPAC2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)c1nnc(Cn2nc(C(F)(F)F)ccc2=O)o1
InChIInChI=1S/C11H11F3N4O2/c1-6(2)10-16-15-8(20-10)5-18-9(19)4-3-7(17-18)11(12,13)14/h3-4,6H,5H2,1-2H3
InChIKeyOHWKHNQBFKQSAC-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.82
Rot. Bonds3

About 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one

2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 84589605) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one
PubChem CID84589605
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)c1nnc(Cn2nc(C(F)(F)F)ccc2=O)o1
InChIInChI=1S/C11H11F3N4O2/c1-6(2)10-16-15-8(20-10)5-18-9(19)4-3-7(17-18)11(12,13)14/h3-4,6H,5H2,1-2H3
InChIKeyOHWKHNQBFKQSAC-UHFFFAOYSA-N
XLogP1.82
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one (CID 84589605) is 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one is CC(C)c1nnc(Cn2nc(C(F)(F)F)ccc2=O)o1.
What is the InChIKey of 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is OHWKHNQBFKQSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c1-6(2)10-16-15-8(20-10)5-18-9(19)4-3-7(17-18)11(12,13)14/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 288.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 84589605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).