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

C17H22N8 — CID 126921649

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

1-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 126921649) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

• Compound Name: 1-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
• PubChem CID: 126921649
• Molecular Formula: C17H22N8
• Molecular Weight: 338.42 g/mol
• Exact Mass: 338.20
• IUPAC Name: 1-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
• SMILES: Cn1ccc(CNCC2CN(c3ccc4nnc(C5CC5)n4n3)C2)n1
• InChI: InChI=1S/C17H22N8/c1-23-7-6-14(21-23)9-18-8-12-10-24(11-12)16-5-4-15-19-20-17(13-2-3-13)25(15)22-16/h4-7,12-13,18H,2-3,8-11H2,1H3
• InChIKey: ADLYPETXMSXAAS-UHFFFAOYSA-N
• XLogP: 0.96
• TPSA: 76.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.42
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine (CID 126921649) is 1-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine.

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

The canonical SMILES for 1-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine is Cn1ccc(CNCC2CN(c3ccc4nnc(C5CC5)n4n3)C2)n1.

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

The InChIKey is ADLYPETXMSXAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8/c1-23-7-6-14(21-23)9-18-8-12-10-24(11-12)16-5-4-15-19-20-17(13-2-3-13)25(15)22-16/h4-7,12-13,18H,2-3,8-11H2,1H3.

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

1-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 338.42 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 126921649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).