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

C19H17F5N6O2 — CID 177327890

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

4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyridazin-3-one (PubChem CID 177327890) has the molecular formula C19H17F5N6O2 and a molecular weight of 456.38 g/mol. Its IUPAC name is 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyridazin-3-one
• PubChem CID: 177327890
• Molecular Formula: C19H17F5N6O2
• Molecular Weight: 456.38 g/mol
• Exact Mass: 456.13
• IUPAC Name: 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyridazin-3-one
• SMILES: O=c1c(C2CCCCC2)cc(-c2nnc(C(F)F)o2)nn1Cc1nccnc1C(F)(F)F
• InChI: InChI=1S/C19H17F5N6O2/c20-15(21)17-28-27-16(32-17)12-8-11(10-4-2-1-3-5-10)18(31)30(29-12)9-13-14(19(22,23)24)26-7-6-25-13/h6-8,10,15H,1-5,9H2
• InChIKey: JPKACVIAIGTEFB-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 99.59 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.38
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyridazin-3-one?

The IUPAC name of 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyridazin-3-one (CID 177327890) is 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyridazin-3-one.

What is the SMILES notation for 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyridazin-3-one?

The canonical SMILES for 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyridazin-3-one is O=c1c(C2CCCCC2)cc(-c2nnc(C(F)F)o2)nn1Cc1nccnc1C(F)(F)F.

What is the InChIKey of 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyridazin-3-one?

The InChIKey is JPKACVIAIGTEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N6O2/c20-15(21)17-28-27-16(32-17)12-8-11(10-4-2-1-3-5-10)18(31)30(29-12)9-13-14(19(22,23)24)26-7-6-25-13/h6-8,10,15H,1-5,9H2.

What are the key properties of 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyridazin-3-one?

4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyridazin-3-one has a molecular weight of 456.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 177327890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).