N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine

C18H22N8 — CID 126922209

About N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine (PubChem CID 126922209) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
• PubChem CID: 126922209
• Molecular Formula: C18H22N8
• Molecular Weight: 350.43 g/mol
• Exact Mass: 350.20
• IUPAC Name: N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
• SMILES: Cc1ccnc(N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)n1
• InChI: InChI=1S/C18H22N8/c1-12-8-9-19-18(20-12)24(2)14-10-25(11-14)16-7-6-15-21-22-17(26(15)23-16)13-4-3-5-13/h6-9,13-14H,3-5,10-11H2,1-2H3
• InChIKey: KOBYIJDVJUHTOF-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 75.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.43
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine?

The IUPAC name of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine (CID 126922209) is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine.

What is the SMILES notation for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine?

The canonical SMILES for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine is Cc1ccnc(N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)n1.

What is the InChIKey of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine?

The InChIKey is KOBYIJDVJUHTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-12-8-9-19-18(20-12)24(2)14-10-25(11-14)16-7-6-15-21-22-17(26(15)23-16)13-4-3-5-13/h6-9,13-14H,3-5,10-11H2,1-2H3.

What are the key properties of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine?

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine has a molecular weight of 350.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 126922209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).