copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate

C28H24Cl2CuN16O8 — CID 139137071

About copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate

copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate (PubChem CID 139137071) has the molecular formula C28H24Cl2CuN16O8 and a molecular weight of 847.06 g/mol. Its IUPAC name is copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate.

Molecular Properties

• Compound Name: copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate
• PubChem CID: 139137071
• Molecular Formula: C28H24Cl2CuN16O8
• Molecular Weight: 847.06 g/mol
• Exact Mass: 845.06
• IUPAC Name: copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate
• SMILES: [Cu+2].[N-]=[N+]=NCc1cccc(Cn2cc(-c3ccccn3)nn2)n1.[N-]=[N+]=NCc1cccc(Cn2cc(-c3ccccn3)nn2)n1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/2C14H12N8.2ClHO4.Cu/c2*15-20-17-8-11-4-3-5-12(18-11)9-22-10-14(19-21-22)13-6-1-2-7-16-13;2*2-1(3,4)5;/h2*1-7,10H,8-9H2;2*(H,2,3,4,5);/q;;;;+2/p-2
• InChIKey: ZXVGZPQURYTPMP-UHFFFAOYSA-L
• XLogP: -4.33
• TPSA: 394.98 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.06
LogP ≤ 5	-4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate?

The IUPAC name of copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate (CID 139137071) is copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate.

What is the SMILES notation for copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate?

The canonical SMILES for copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate is [Cu+2].[N-]=[N+]=NCc1cccc(Cn2cc(-c3ccccn3)nn2)n1.[N-]=[N+]=NCc1cccc(Cn2cc(-c3ccccn3)nn2)n1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate?

The InChIKey is ZXVGZPQURYTPMP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H12N8.2ClHO4.Cu/c2*15-20-17-8-11-4-3-5-12(18-11)9-22-10-14(19-21-22)13-6-1-2-7-16-13;2*2-1(3,4)5;/h2*1-7,10H,8-9H2;2*(H,2,3,4,5);/q;;;;+2/p-2.

What are the key properties of copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate?

copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate has a molecular weight of 847.06 g/mol, XLogP of -4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate is sourced from PubChem (CID 139137071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).