N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide

C14H17F3N6O — CID 165434542

About N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide

N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide (PubChem CID 165434542) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide
• PubChem CID: 165434542
• Molecular Formula: C14H17F3N6O
• Molecular Weight: 342.33 g/mol
• Exact Mass: 342.14
• IUPAC Name: N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide
• SMILES: CC(C)(C)NC(=O)C1CN(c2ccc3nnc(C(F)(F)F)n3n2)C1
• InChI: InChI=1S/C14H17F3N6O/c1-13(2,3)18-11(24)8-6-22(7-8)10-5-4-9-19-20-12(14(15,16)17)23(9)21-10/h4-5,8H,6-7H2,1-3H3,(H,18,24)
• InChIKey: BUYKBDIYPZNOHE-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.33
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide?

The IUPAC name of N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide (CID 165434542) is N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide.

What is the SMILES notation for N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide?

The canonical SMILES for N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide is CC(C)(C)NC(=O)C1CN(c2ccc3nnc(C(F)(F)F)n3n2)C1.

What is the InChIKey of N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide?

The InChIKey is BUYKBDIYPZNOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-13(2,3)18-11(24)8-6-22(7-8)10-5-4-9-19-20-12(14(15,16)17)23(9)21-10/h4-5,8H,6-7H2,1-3H3,(H,18,24).

What are the key properties of N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide?

N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide has a molecular weight of 342.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide is sourced from PubChem (CID 165434542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).