3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H17N7S — CID 85462847

About 3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 85462847) has the molecular formula C14H17N7S and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

• Compound Name: 3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• PubChem CID: 85462847
• Molecular Formula: C14H17N7S
• Molecular Weight: 315.41 g/mol
• Exact Mass: 315.13
• IUPAC Name: 3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• SMILES: CC(C)C1CC(c2nnc3sc(-c4ccncc4)nn23)NN1
• InChI: InChI=1S/C14H17N7S/c1-8(2)10-7-11(17-16-10)12-18-19-14-21(12)20-13(22-14)9-3-5-15-6-4-9/h3-6,8,10-11,16-17H,7H2,1-2H3
• InChIKey: QUKXMJVHBAEMLS-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 80.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.41
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

The IUPAC name of 3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 85462847) is 3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

What is the SMILES notation for 3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

The canonical SMILES for 3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC(C)C1CC(c2nnc3sc(-c4ccncc4)nn23)NN1.

What is the InChIKey of 3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

The InChIKey is QUKXMJVHBAEMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7S/c1-8(2)10-7-11(17-16-10)12-18-19-14-21(12)20-13(22-14)9-3-5-15-6-4-9/h3-6,8,10-11,16-17H,7H2,1-2H3.

What are the key properties of 3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 315.41 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-propan-2-ylpyrazolidin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 85462847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).