1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine

C17H20N8 — CID 126921842

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

1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine (PubChem CID 126921842) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine.

Molecular Properties

• Compound Name: 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine
• PubChem CID: 126921842
• Molecular Formula: C17H20N8
• Molecular Weight: 336.40 g/mol
• Exact Mass: 336.18
• IUPAC Name: 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine
• SMILES: CN(Cc1ncccn1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1
• InChI: InChI=1S/C17H20N8/c1-23(11-14-18-7-2-8-19-14)13-9-24(10-13)16-6-5-15-20-21-17(12-3-4-12)25(15)22-16/h2,5-8,12-13H,3-4,9-11H2,1H3
• InChIKey: NPWARTSVYSQLLI-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 75.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.40
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine (CID 126921842) is 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine.

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

The canonical SMILES for 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine is CN(Cc1ncccn1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1.

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

The InChIKey is NPWARTSVYSQLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-23(11-14-18-7-2-8-19-14)13-9-24(10-13)16-6-5-15-20-21-17(12-3-4-12)25(15)22-16/h2,5-8,12-13H,3-4,9-11H2,1H3.

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

1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine has a molecular weight of 336.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 126921842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).