5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine

C21H24N8 — CID 19976574

About 5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine

5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine (PubChem CID 19976574) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is 5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine.

Molecular Properties

• Compound Name: 5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
• PubChem CID: 19976574
• Molecular Formula: C21H24N8
• Molecular Weight: 388.48 g/mol
• Exact Mass: 388.21
• IUPAC Name: 5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
• SMILES: CCCc1nc(CCC)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)nc2)n1
• InChI: InChI=1S/C21H24N8/c1-3-7-19-23-20(8-4-2)29(26-19)14-15-11-12-18(22-13-15)16-9-5-6-10-17(16)21-24-27-28-25-21/h5-6,9-13H,3-4,7-8,14H2,1-2H3,(H,24,25,27,28)
• InChIKey: FVXZYWHIKRYGSK-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.48
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?

The IUPAC name of 5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine (CID 19976574) is 5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine.

What is the SMILES notation for 5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?

The canonical SMILES for 5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine is CCCc1nc(CCC)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)nc2)n1.

What is the InChIKey of 5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?

The InChIKey is FVXZYWHIKRYGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8/c1-3-7-19-23-20(8-4-2)29(26-19)14-15-11-12-18(22-13-15)16-9-5-6-10-17(16)21-24-27-28-25-21/h5-6,9-13H,3-4,7-8,14H2,1-2H3,(H,24,25,27,28).

What are the key properties of 5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?

5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine has a molecular weight of 388.48 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 19976574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).