(2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+)

C7H9ClN2Ru — CID 58754581

IUPAC(2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+)
SMILESCl[Ru+3].[CH3-].[NH-]c1ccccc1[NH-]
InChIInChI=1S/C6H6N2.CH3.ClH.Ru/c7-5-3-1-2-4-6(5)8;;;/h1-4,7-8H;1H3;1H;/q-2;-1;;+4/p-1
InChIKeyAFFNIMXHVDNWKJ-UHFFFAOYSA-M
MW257.69 g/mol
LogP4.19
Rot. Bonds

About (2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+)

(2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+) (PubChem CID 58754581) has the molecular formula C7H9ClN2Ru and a molecular weight of 257.69 g/mol. Its IUPAC name is (2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+).

Molecular Properties

Compound Name(2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+)
PubChem CID58754581
Molecular FormulaC7H9ClN2Ru
Molecular Weight257.69 g/mol
Exact Mass257.95
IUPAC Name(2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+)
SMILESCl[Ru+3].[CH3-].[NH-]c1ccccc1[NH-]
InChIInChI=1S/C6H6N2.CH3.ClH.Ru/c7-5-3-1-2-4-6(5)8;;;/h1-4,7-8H;1H3;1H;/q-2;-1;;+4/p-1
InChIKeyAFFNIMXHVDNWKJ-UHFFFAOYSA-M
XLogP4.19
TPSA47.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 101489883
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CID 70187528
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CID 23389380

Frequently Asked Questions

What is the IUPAC name of (2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+)?
The IUPAC name of (2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+) (CID 58754581) is (2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+).
What is the SMILES notation for (2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+)?
The canonical SMILES for (2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+) is Cl[Ru+3].[CH3-].[NH-]c1ccccc1[NH-].
What is the InChIKey of (2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+)?
The InChIKey is AFFNIMXHVDNWKJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N2.CH3.ClH.Ru/c7-5-3-1-2-4-6(5)8;;;/h1-4,7-8H;1H3;1H;/q-2;-1;;+4/p-1.
What are the key properties of (2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+)?
(2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+) has a molecular weight of 257.69 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidylphenyl)azanide;carbanide;chlororuthenium(3+) is sourced from PubChem (CID 58754581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).