3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile

C18H19N9 — CID 126912604

About 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile

3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 126912604) has the molecular formula C18H19N9 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile
• PubChem CID: 126912604
• Molecular Formula: C18H19N9
• Molecular Weight: 361.41 g/mol
• Exact Mass: 361.18
• IUPAC Name: 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile
• SMILES: N#Cc1nccnc1N1CCC(c2nnc3ccc(N4CCC4)nn23)CC1
• InChI: InChI=1S/C18H19N9/c19-12-14-18(21-7-6-20-14)26-10-4-13(5-11-26)17-23-22-15-2-3-16(24-27(15)17)25-8-1-9-25/h2-3,6-7,13H,1,4-5,8-11H2
• InChIKey: ZOMVXCMPNOQVGX-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 99.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.41
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile?

The IUPAC name of 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile (CID 126912604) is 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile.

What is the SMILES notation for 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile?

The canonical SMILES for 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCC(c2nnc3ccc(N4CCC4)nn23)CC1.

What is the InChIKey of 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile?

The InChIKey is ZOMVXCMPNOQVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9/c19-12-14-18(21-7-6-20-14)26-10-4-13(5-11-26)17-23-22-15-2-3-16(24-27(15)17)25-8-1-9-25/h2-3,6-7,13H,1,4-5,8-11H2.

What are the key properties of 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile?

3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 361.41 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 126912604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).