3-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione

C19H24N8O2 — CID 126912399

About 3-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione

3-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 126912399) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 3-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 3-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
• PubChem CID: 126912399
• Molecular Formula: C19H24N8O2
• Molecular Weight: 396.46 g/mol
• Exact Mass: 396.20
• IUPAC Name: 3-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
• SMILES: Cn1c(=O)cc(N2CCC(c3nnc4ccc(N5CCCC5)nn34)CC2)[nH]c1=O
• InChI: InChI=1S/C19H24N8O2/c1-24-17(28)12-16(20-19(24)29)26-10-6-13(7-11-26)18-22-21-14-4-5-15(23-27(14)18)25-8-2-3-9-25/h4-5,12-13H,2-3,6-11H2,1H3,(H,20,29)
• InChIKey: SGUXEZIKWMUOFQ-UHFFFAOYSA-N
• XLogP: 0.50
• TPSA: 104.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.46
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione (CID 126912399) is 3-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione.

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

The canonical SMILES for 3-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CCC(c3nnc4ccc(N5CCCC5)nn34)CC2)[nH]c1=O.

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

The InChIKey is SGUXEZIKWMUOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-24-17(28)12-16(20-19(24)29)26-10-6-13(7-11-26)18-22-21-14-4-5-15(23-27(14)18)25-8-2-3-9-25/h4-5,12-13H,2-3,6-11H2,1H3,(H,20,29).

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

3-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 396.46 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126912399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).