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

C15H11F3N4O3 — CID 55875677

IUPAC6-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESO=c1c(C(F)(F)F)cc(C2CC2)nn1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C15H11F3N4O3/c16-15(17,18)9-6-10(8-3-4-8)20-22(14(9)23)7-12-19-13(21-25-12)11-2-1-5-24-11/h1-2,5-6,8H,3-4,7H2
InChIKeyBVYAOFBFFUNYBO-UHFFFAOYSA-N
MW352.27 g/mol
LogP2.83
Rot. Bonds4

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

6-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyridazin-3-one (PubChem CID 55875677) has the molecular formula C15H11F3N4O3 and a molecular weight of 352.27 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyridazin-3-one
PubChem CID55875677
Molecular FormulaC15H11F3N4O3
Molecular Weight352.27 g/mol
Exact Mass352.08
IUPAC Name6-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESO=c1c(C(F)(F)F)cc(C2CC2)nn1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C15H11F3N4O3/c16-15(17,18)9-6-10(8-3-4-8)20-22(14(9)23)7-12-19-13(21-25-12)11-2-1-5-24-11/h1-2,5-6,8H,3-4,7H2
InChIKeyBVYAOFBFFUNYBO-UHFFFAOYSA-N
XLogP2.83
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyridazin-3-one (CID 55875677) is 6-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyridazin-3-one is O=c1c(C(F)(F)F)cc(C2CC2)nn1Cc1nc(-c2ccco2)no1.
What is the InChIKey of 6-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyridazin-3-one?
The InChIKey is BVYAOFBFFUNYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O3/c16-15(17,18)9-6-10(8-3-4-8)20-22(14(9)23)7-12-19-13(21-25-12)11-2-1-5-24-11/h1-2,5-6,8H,3-4,7H2.
What are the key properties of 6-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyridazin-3-one?
6-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyridazin-3-one has a molecular weight of 352.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 55875677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).