4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine

C17H26N10 — CID 72927454

About 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine

4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine (PubChem CID 72927454) has the molecular formula C17H26N10 and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine.

Molecular Properties

• Compound Name: 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine
• PubChem CID: 72927454
• Molecular Formula: C17H26N10
• Molecular Weight: 370.47 g/mol
• Exact Mass: 370.23
• IUPAC Name: 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine
• SMILES: Cc1nccn1Cc1nnc(C2CCN(CCCn3cnnn3)CC2)n1C
• InChI: InChI=1S/C17H26N10/c1-14-18-6-11-26(14)12-16-20-21-17(24(16)2)15-4-9-25(10-5-15)7-3-8-27-13-19-22-23-27/h6,11,13,15H,3-5,7-10,12H2,1-2H3
• InChIKey: KRUJQYCCEAKCGV-UHFFFAOYSA-N
• XLogP: 0.62
• TPSA: 95.37 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.47
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine?

The IUPAC name of 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine (CID 72927454) is 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine.

What is the SMILES notation for 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine?

The canonical SMILES for 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine is Cc1nccn1Cc1nnc(C2CCN(CCCn3cnnn3)CC2)n1C.

What is the InChIKey of 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine?

The InChIKey is KRUJQYCCEAKCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N10/c1-14-18-6-11-26(14)12-16-20-21-17(24(16)2)15-4-9-25(10-5-15)7-3-8-27-13-19-22-23-27/h6,11,13,15H,3-5,7-10,12H2,1-2H3.

What are the key properties of 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine?

4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine has a molecular weight of 370.47 g/mol, XLogP of 0.62, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-[3-(tetrazol-1-yl)propyl]piperidine is sourced from PubChem (CID 72927454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).