3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

C21H24N8 — CID 126913208

About 3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126913208) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is 3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 126913208
• Molecular Formula: C21H24N8
• Molecular Weight: 388.48 g/mol
• Exact Mass: 388.21
• IUPAC Name: 3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: Cn1cncc1CCN1CCC(c2nnc3ccc(-c4cccnc4)nn23)CC1
• InChI: InChI=1S/C21H24N8/c1-27-15-23-14-18(27)8-12-28-10-6-16(7-11-28)21-25-24-20-5-4-19(26-29(20)21)17-3-2-9-22-13-17/h2-5,9,13-16H,6-8,10-12H2,1H3
• InChIKey: NYPROQYYMOANMF-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 77.03 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.48
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 126913208) is 3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is Cn1cncc1CCN1CCC(c2nnc3ccc(-c4cccnc4)nn23)CC1.

What is the InChIKey of 3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is NYPROQYYMOANMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8/c1-27-15-23-14-18(27)8-12-28-10-6-16(7-11-28)21-25-24-20-5-4-19(26-29(20)21)17-3-2-9-22-13-17/h2-5,9,13-16H,6-8,10-12H2,1H3.

What are the key properties of 3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?

3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 388.48 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126913208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).