4-methyl-2-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole

C19H19N7S — CID 126913291

About 4-methyl-2-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole

4-methyl-2-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole (PubChem CID 126913291) has the molecular formula C19H19N7S and a molecular weight of 377.48 g/mol. Its IUPAC name is 4-methyl-2-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 4-methyl-2-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole
• PubChem CID: 126913291
• Molecular Formula: C19H19N7S
• Molecular Weight: 377.48 g/mol
• Exact Mass: 377.14
• IUPAC Name: 4-methyl-2-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole
• SMILES: Cc1csc(N2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)n1
• InChI: InChI=1S/C19H19N7S/c1-13-12-27-19(21-13)25-9-6-14(7-10-25)18-23-22-17-5-4-16(24-26(17)18)15-3-2-8-20-11-15/h2-5,8,11-12,14H,6-7,9-10H2,1H3
• InChIKey: RJPZSVUQRRHTEB-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 72.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.48
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-methyl-2-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole (CID 126913291) is 4-methyl-2-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole.

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

The canonical SMILES for 4-methyl-2-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole is Cc1csc(N2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)n1.

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

The InChIKey is RJPZSVUQRRHTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7S/c1-13-12-27-19(21-13)25-9-6-14(7-10-25)18-23-22-17-5-4-16(24-26(17)18)15-3-2-8-20-11-15/h2-5,8,11-12,14H,6-7,9-10H2,1H3.

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

4-methyl-2-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole has a molecular weight of 377.48 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 126913291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).