bis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+)

C26H22N12Ru+2 — CID 153475093

IUPACbis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+)
SMILES[CH2-][n+]1ccncc1-c1cnccn1.[CH2-][n+]1ccncc1-c1cnccn1.[Ru+2].c1cnc(-c2cnccn2)cn1
InChIInChI=1S/2C9H8N4.C8H6N4.Ru/c2*1-13-5-4-11-7-9(13)8-6-10-2-3-12-8;1-3-11-7(5-9-1)8-6-10-2-4-12-8;/h2*2-7H,1H2;1-6H;/q;;;+2
InChIKeyQBMVVCYTCSQFCU-UHFFFAOYSA-N
MW603.62 g/mol
LogP1.86
Rot. Bonds3

About bis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+)

bis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+) (PubChem CID 153475093) has the molecular formula C26H22N12Ru+2 and a molecular weight of 603.62 g/mol. Its IUPAC name is bis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+).

Molecular Properties

Compound Namebis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+)
PubChem CID153475093
Molecular FormulaC26H22N12Ru+2
Molecular Weight603.62 g/mol
Exact Mass604.11
IUPAC Namebis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+)
SMILES[CH2-][n+]1ccncc1-c1cnccn1.[CH2-][n+]1ccncc1-c1cnccn1.[Ru+2].c1cnc(-c2cnccn2)cn1
InChIInChI=1S/2C9H8N4.C8H6N4.Ru/c2*1-13-5-4-11-7-9(13)8-6-10-2-3-12-8;1-3-11-7(5-9-1)8-6-10-2-4-12-8;/h2*2-7H,1H2;1-6H;/q;;;+2
InChIKeyQBMVVCYTCSQFCU-UHFFFAOYSA-N
XLogP1.86
TPSA136.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.62
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+)?
The IUPAC name of bis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+) (CID 153475093) is bis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+).
What is the SMILES notation for bis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+)?
The canonical SMILES for bis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+) is [CH2-][n+]1ccncc1-c1cnccn1.[CH2-][n+]1ccncc1-c1cnccn1.[Ru+2].c1cnc(-c2cnccn2)cn1.
What is the InChIKey of bis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+)?
The InChIKey is QBMVVCYTCSQFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8N4.C8H6N4.Ru/c2*1-13-5-4-11-7-9(13)8-6-10-2-3-12-8;1-3-11-7(5-9-1)8-6-10-2-4-12-8;/h2*2-7H,1H2;1-6H;/q;;;+2.
What are the key properties of bis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+)?
bis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+) has a molecular weight of 603.62 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methanidyl-2-pyrazin-2-ylpyrazin-1-ium);2-pyrazin-2-ylpyrazine;ruthenium(2+) is sourced from PubChem (CID 153475093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).