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

C14H14F3N5O3 — CID 90539797

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

2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one (PubChem CID 90539797) has the molecular formula C14H14F3N5O3 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one
• PubChem CID: 90539797
• Molecular Formula: C14H14F3N5O3
• Molecular Weight: 357.29 g/mol
• Exact Mass: 357.10
• IUPAC Name: 2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one
• SMILES: Cn1nc(C(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)ccc1=O
• InChI: InChI=1S/C14H14F3N5O3/c1-21-10(23)3-2-9(20-21)12(24)22-6-4-8(5-7-22)11-18-19-13(25-11)14(15,16)17/h2-3,8H,4-7H2,1H3
• InChIKey: LZCYWSRNEZCOTE-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 94.12 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.29
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one (CID 90539797) is 2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one.

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

The canonical SMILES for 2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one is Cn1nc(C(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)ccc1=O.

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

The InChIKey is LZCYWSRNEZCOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O3/c1-21-10(23)3-2-9(20-21)12(24)22-6-4-8(5-7-22)11-18-19-13(25-11)14(15,16)17/h2-3,8H,4-7H2,1H3.

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

2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one has a molecular weight of 357.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 90539797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).