3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

C19H24N8 — CID 126912401

About 3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126912401) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 126912401
• Molecular Formula: C19H24N8
• Molecular Weight: 364.46 g/mol
• Exact Mass: 364.21
• IUPAC Name: 3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: Cc1cncc(N2CCC(c3nnc4ccc(N5CCCC5)nn34)CC2)n1
• InChI: InChI=1S/C19H24N8/c1-14-12-20-13-18(21-14)26-10-6-15(7-11-26)19-23-22-16-4-5-17(24-27(16)19)25-8-2-3-9-25/h4-5,12-13,15H,2-3,6-11H2,1H3
• InChIKey: NXEAEKIJCIKPRR-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 75.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.46
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 126912401) is 3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

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

The canonical SMILES for 3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cncc(N2CCC(c3nnc4ccc(N5CCCC5)nn34)CC2)n1.

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

The InChIKey is NXEAEKIJCIKPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8/c1-14-12-20-13-18(21-14)26-10-6-15(7-11-26)19-23-22-16-4-5-17(24-27(16)19)25-8-2-3-9-25/h4-5,12-13,15H,2-3,6-11H2,1H3.

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

3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 364.46 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126912401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).