N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide

C24H23F3N6O2 — CID 55477874

About N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide

N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide (PubChem CID 55477874) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
• PubChem CID: 55477874
• Molecular Formula: C24H23F3N6O2
• Molecular Weight: 484.48 g/mol
• Exact Mass: 484.18
• IUPAC Name: N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
• SMILES: O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N(Cc1ccccc1)Cc1ccco1
• InChI: InChI=1S/C24H23F3N6O2/c25-24(26,27)23-29-28-20-8-9-21(30-33(20)23)31-12-10-18(11-13-31)22(34)32(16-19-7-4-14-35-19)15-17-5-2-1-3-6-17/h1-9,14,18H,10-13,15-16H2
• InChIKey: HASFGGFMSHFRFI-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 79.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.48
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?

The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide (CID 55477874) is N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?

The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide is O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N(Cc1ccccc1)Cc1ccco1.

What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?

The InChIKey is HASFGGFMSHFRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c25-24(26,27)23-29-28-20-8-9-21(30-33(20)23)31-12-10-18(11-13-31)22(34)32(16-19-7-4-14-35-19)15-17-5-2-1-3-6-17/h1-9,14,18H,10-13,15-16H2.

What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide?

N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-(furan-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 55477874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).