1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine

C19H28N8 — CID 126922943

About 1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine

1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine (PubChem CID 126922943) has the molecular formula C19H28N8 and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine.

Molecular Properties

• Compound Name: 1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine
• PubChem CID: 126922943
• Molecular Formula: C19H28N8
• Molecular Weight: 368.49 g/mol
• Exact Mass: 368.24
• IUPAC Name: 1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine
• SMILES: CN(CCc1ccnn1C)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1
• InChI: InChI=1S/C19H28N8/c1-19(2,3)18-22-21-16-6-7-17(23-27(16)18)26-12-15(13-26)24(4)11-9-14-8-10-20-25(14)5/h6-8,10,15H,9,11-13H2,1-5H3
• InChIKey: FPSKMKQXUHRJNH-UHFFFAOYSA-N
• XLogP: 1.52
• TPSA: 67.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.49
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine?

The IUPAC name of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine (CID 126922943) is 1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine.

What is the SMILES notation for 1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine?

The canonical SMILES for 1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine is CN(CCc1ccnn1C)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1.

What is the InChIKey of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine?

The InChIKey is FPSKMKQXUHRJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8/c1-19(2,3)18-22-21-16-6-7-17(23-27(16)18)26-12-15(13-26)24(4)11-9-14-8-10-20-25(14)5/h6-8,10,15H,9,11-13H2,1-5H3.

What are the key properties of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine?

1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine has a molecular weight of 368.49 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine is sourced from PubChem (CID 126922943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).