1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine

C18H24N8 — CID 126922061

About 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine

1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 126922061) has the molecular formula C18H24N8 and a molecular weight of 352.45 g/mol. Its IUPAC name is 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

• Compound Name: 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
• PubChem CID: 126922061
• Molecular Formula: C18H24N8
• Molecular Weight: 352.45 g/mol
• Exact Mass: 352.21
• IUPAC Name: 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
• SMILES: Cn1nccc1CNCC1CN(c2ccc3nnc(C4CCC4)n3n2)C1
• InChI: InChI=1S/C18H24N8/c1-24-15(7-8-20-24)10-19-9-13-11-25(12-13)17-6-5-16-21-22-18(26(16)23-17)14-3-2-4-14/h5-8,13-14,19H,2-4,9-12H2,1H3
• InChIKey: TVFXPTWNUJPJFK-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 76.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.45
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine (CID 126922061) is 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine.

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

The canonical SMILES for 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine is Cn1nccc1CNCC1CN(c2ccc3nnc(C4CCC4)n3n2)C1.

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

The InChIKey is TVFXPTWNUJPJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8/c1-24-15(7-8-20-24)10-19-9-13-11-25(12-13)17-6-5-16-21-22-18(26(16)23-17)14-3-2-4-14/h5-8,13-14,19H,2-4,9-12H2,1H3.

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

1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 352.45 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 126922061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).