bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate

C26H20Eu2N22O18 — CID 139138968

About bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate

bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate (PubChem CID 139138968) has the molecular formula C26H20Eu2N22O18 and a molecular weight of 1232.51 g/mol. Its IUPAC name is bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate.

Molecular Properties

• Compound Name: bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate
• PubChem CID: 139138968
• Molecular Formula: C26H20Eu2N22O18
• Molecular Weight: 1232.51 g/mol
• Exact Mass: 1233.98
• IUPAC Name: bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate
• SMILES: CC#N.CC#N.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Eu+3].[Eu+3].c1cc(-c2nccnn2)nc(-c2nccnn2)c1.c1cc(-c2nccnn2)nc(-c2nccnn2)c1
• InChI: InChI=1S/2C11H7N7.2C2H3N.2Eu.6NO3/c2*1-2-8(10-12-4-6-14-17-10)16-9(3-1)11-13-5-7-15-18-11;2*1-2-3;;;6*2-1(3)4/h2*1-7H;2*1H3;;;;;;;;/q;;;;2*+3;6*-1
• InChIKey: TXTPKOYZRMRKMK-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 625.24 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1232.51
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate?

The IUPAC name of bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate (CID 139138968) is bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate.

What is the SMILES notation for bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate?

The canonical SMILES for bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate is CC#N.CC#N.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Eu+3].[Eu+3].c1cc(-c2nccnn2)nc(-c2nccnn2)c1.c1cc(-c2nccnn2)nc(-c2nccnn2)c1.

What is the InChIKey of bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate?

The InChIKey is TXTPKOYZRMRKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H7N7.2C2H3N.2Eu.6NO3/c2*1-2-8(10-12-4-6-14-17-10)16-9(3-1)11-13-5-7-15-18-11;2*1-2-3;;;6*2-1(3)4/h2*1-7H;2*1H3;;;;;;;;/q;;;;2*+3;6*-1.

What are the key properties of bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate?

bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate has a molecular weight of 1232.51 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for bis(acetonitrile);bis(europium(3+));bis(3-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine);hexanitrate is sourced from PubChem (CID 139138968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).