2,6-bis[2-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]tetrazol-5-yl]pyridine

C31H35N19 — CID 102451920

About 2,6-bis[2-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]tetrazol-5-yl]pyridine

2,6-bis[2-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]tetrazol-5-yl]pyridine (PubChem CID 102451920) has the molecular formula C31H35N19 and a molecular weight of 673.75 g/mol. Its IUPAC name is 2,6-bis[2-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]tetrazol-5-yl]pyridine.

Molecular Properties

• Compound Name: 2,6-bis[2-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]tetrazol-5-yl]pyridine
• PubChem CID: 102451920
• Molecular Formula: C31H35N19
• Molecular Weight: 673.75 g/mol
• Exact Mass: 673.33
• IUPAC Name: 2,6-bis[2-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]tetrazol-5-yl]pyridine
• SMILES: c1ccc(-c2nnn(CCCCCCn3nnc(-c4cccc(-c5nnn(CCCCCCn6nnc(-c7ccccn7)n6)n5)n4)n3)n2)nc1
• InChI: InChI=1S/C31H35N19/c1(9-20-47-39-28(35-43-47)24-14-5-7-18-32-24)3-11-22-49-41-30(37-45-49)26-16-13-17-27(34-26)31-38-46-50(42-31)23-12-4-2-10-21-48-40-29(36-44-48)25-15-6-8-19-33-25/h5-8,13-19H,1-4,9-12,20-23H2
• InChIKey: UVXQJFMYDHFZHA-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 213.07 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.75
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]tetrazol-5-yl]pyridine?

The IUPAC name of 2,6-bis[2-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]tetrazol-5-yl]pyridine (CID 102451920) is 2,6-bis[2-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]tetrazol-5-yl]pyridine.

What is the SMILES notation for 2,6-bis[2-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]tetrazol-5-yl]pyridine?

The canonical SMILES for 2,6-bis[2-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]tetrazol-5-yl]pyridine is c1ccc(-c2nnn(CCCCCCn3nnc(-c4cccc(-c5nnn(CCCCCCn6nnc(-c7ccccn7)n6)n5)n4)n3)n2)nc1.

What is the InChIKey of 2,6-bis[2-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]tetrazol-5-yl]pyridine?

The InChIKey is UVXQJFMYDHFZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N19/c1(9-20-47-39-28(35-43-47)24-14-5-7-18-32-24)3-11-22-49-41-30(37-45-49)26-16-13-17-27(34-26)31-38-46-50(42-31)23-12-4-2-10-21-48-40-29(36-44-48)25-15-6-8-19-33-25/h5-8,13-19H,1-4,9-12,20-23H2.

What are the key properties of 2,6-bis[2-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]tetrazol-5-yl]pyridine?

2,6-bis[2-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]tetrazol-5-yl]pyridine has a molecular weight of 673.75 g/mol, XLogP of 3.01, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis[2-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]tetrazol-5-yl]pyridine is sourced from PubChem (CID 102451920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).