6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H14N8S — CID 45491571

About 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 45491571) has the molecular formula C14H14N8S and a molecular weight of 326.39 g/mol. Its IUPAC name is 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

• Compound Name: 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• PubChem CID: 45491571
• Molecular Formula: C14H14N8S
• Molecular Weight: 326.39 g/mol
• Exact Mass: 326.11
• IUPAC Name: 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• SMILES: CC(C)(C)c1cc(-c2nn3c(-c4cnccn4)nnc3s2)n[nH]1
• InChI: InChI=1S/C14H14N8S/c1-14(2,3)10-6-8(17-18-10)12-21-22-11(19-20-13(22)23-12)9-7-15-4-5-16-9/h4-7H,1-3H3,(H,17,18)
• InChIKey: CGLGRNYWWOKDPP-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 97.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.39
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

The IUPAC name of 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 45491571) is 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

What is the SMILES notation for 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

The canonical SMILES for 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC(C)(C)c1cc(-c2nn3c(-c4cnccn4)nnc3s2)n[nH]1.

What is the InChIKey of 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

The InChIKey is CGLGRNYWWOKDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8S/c1-14(2,3)10-6-8(17-18-10)12-21-22-11(19-20-13(22)23-12)9-7-15-4-5-16-9/h4-7H,1-3H3,(H,17,18).

What are the key properties of 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?

6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 326.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 45491571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).