2-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole

C15H15N9S — CID 126913014

About 2-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole

2-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 126913014) has the molecular formula C15H15N9S and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

• Compound Name: 2-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
• PubChem CID: 126913014
• Molecular Formula: C15H15N9S
• Molecular Weight: 353.42 g/mol
• Exact Mass: 353.12
• IUPAC Name: 2-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
• SMILES: c1cnn(-c2ccc3nnc(C4CCN(c5nncs5)CC4)n3n2)c1
• InChI: InChI=1S/C15H15N9S/c1-6-17-23(7-1)13-3-2-12-18-19-14(24(12)21-13)11-4-8-22(9-5-11)15-20-16-10-25-15/h1-3,6-7,10-11H,4-5,8-9H2
• InChIKey: BQDSZMGUVCQZEK-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 89.92 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.42
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole (CID 126913014) is 2-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole.

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

The canonical SMILES for 2-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole is c1cnn(-c2ccc3nnc(C4CCN(c5nncs5)CC4)n3n2)c1.

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

The InChIKey is BQDSZMGUVCQZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N9S/c1-6-17-23(7-1)13-3-2-12-18-19-14(24(12)21-13)11-4-8-22(9-5-11)15-20-16-10-25-15/h1-3,6-7,10-11H,4-5,8-9H2.

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

2-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 353.42 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 126913014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).