5-[(5-butyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine;pentane

C24H32N8 — CID 143417079

About 5-[(5-butyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine;pentane

5-[(5-butyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine;pentane (PubChem CID 143417079) has the molecular formula C24H32N8 and a molecular weight of 432.58 g/mol. Its IUPAC name is 5-[(5-butyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine;pentane.

Molecular Properties

• Compound Name: 5-[(5-butyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine;pentane
• PubChem CID: 143417079
• Molecular Formula: C24H32N8
• Molecular Weight: 432.58 g/mol
• Exact Mass: 432.27
• IUPAC Name: 5-[(5-butyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine;pentane
• SMILES: CCCCC.CCCCc1ncnn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
• InChI: InChI=1S/C19H20N8.C5H12/c1-2-3-8-18-21-13-22-27(18)12-14-9-10-17(20-11-14)15-6-4-5-7-16(15)19-23-25-26-24-19;1-3-5-4-2/h4-7,9-11,13H,2-3,8,12H2,1H3,(H,23,24,25,26);3-5H2,1-2H3
• InChIKey: JAPOBUUFQOVUPT-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.58
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[(5-butyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine;pentane (CID 143417079) is 5-[(5-butyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine;pentane.

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

The canonical SMILES for 5-[(5-butyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine;pentane is CCCCC.CCCCc1ncnn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1.

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

The InChIKey is JAPOBUUFQOVUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8.C5H12/c1-2-3-8-18-21-13-22-27(18)12-14-9-10-17(20-11-14)15-6-4-5-7-16(15)19-23-25-26-24-19;1-3-5-4-2/h4-7,9-11,13H,2-3,8,12H2,1H3,(H,23,24,25,26);3-5H2,1-2H3.

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

5-[(5-butyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine;pentane has a molecular weight of 432.58 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-butyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine;pentane is sourced from PubChem (CID 143417079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).