5-tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C20H32N6 — CID 146338901

About 5-tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

5-tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 146338901) has the molecular formula C20H32N6 and a molecular weight of 356.52 g/mol. Its IUPAC name is 5-tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 5-tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 146338901
• Molecular Formula: C20H32N6
• Molecular Weight: 356.52 g/mol
• Exact Mass: 356.27
• IUPAC Name: 5-tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: CC(C)(C)C1CCc2nc(C3Cc4ncnn4C(C(C)(C)C)C3)nn2C1
• InChI: InChI=1S/C20H32N6/c1-19(2,3)14-7-8-16-23-18(24-25(16)11-14)13-9-15(20(4,5)6)26-17(10-13)21-12-22-26/h12-15H,7-11H2,1-6H3
• InChIKey: HKGRNDCUOYKSMF-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.52
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 5-tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 146338901) is 5-tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 5-tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 5-tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)C1CCc2nc(C3Cc4ncnn4C(C(C)(C)C)C3)nn2C1.

What is the InChIKey of 5-tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is HKGRNDCUOYKSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6/c1-19(2,3)14-7-8-16-23-18(24-25(16)11-14)13-9-15(20(4,5)6)26-17(10-13)21-12-22-26/h12-15H,7-11H2,1-6H3.

What are the key properties of 5-tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

5-tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 356.52 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 146338901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).