1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one

C19H24N8O — CID 126912387

About 1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one

1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one (PubChem CID 126912387) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one.

Molecular Properties

• Compound Name: 1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
• PubChem CID: 126912387
• Molecular Formula: C19H24N8O
• Molecular Weight: 380.46 g/mol
• Exact Mass: 380.21
• IUPAC Name: 1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
• SMILES: Cn1ccnc(N2CCC(c3nnc4ccc(N5CCCC5)nn34)CC2)c1=O
• InChI: InChI=1S/C19H24N8O/c1-24-13-8-20-18(19(24)28)26-11-6-14(7-12-26)17-22-21-15-4-5-16(23-27(15)17)25-9-2-3-10-25/h4-5,8,13-14H,2-3,6-7,9-12H2,1H3
• InChIKey: XZZUFUBJNVUKBF-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 84.45 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.46
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one?

The IUPAC name of 1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one (CID 126912387) is 1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one.

What is the SMILES notation for 1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one?

The canonical SMILES for 1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one is Cn1ccnc(N2CCC(c3nnc4ccc(N5CCCC5)nn34)CC2)c1=O.

What is the InChIKey of 1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one?

The InChIKey is XZZUFUBJNVUKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-24-13-8-20-18(19(24)28)26-11-6-14(7-12-26)17-22-21-15-4-5-16(23-27(15)17)25-9-2-3-10-25/h4-5,8,13-14H,2-3,6-7,9-12H2,1H3.

What are the key properties of 1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one?

1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one has a molecular weight of 380.46 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 126912387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).