tris(pyrazino[2,3-f]quinoxaline);ruthenium

C30H18N12Ru — CID 57355129

IUPACtris(pyrazino[2,3-f]quinoxaline);ruthenium
SMILES[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
InChIInChI=1S/3C10H6N4.Ru/c3*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h3*1-6H;
InChIKeyJWTBBBVRYAHZRE-UHFFFAOYSA-N
MW647.63 g/mol
LogP4.72
Rot. Bonds

About tris(pyrazino[2,3-f]quinoxaline);ruthenium

tris(pyrazino[2,3-f]quinoxaline);ruthenium (PubChem CID 57355129) has the molecular formula C30H18N12Ru and a molecular weight of 647.63 g/mol. Its IUPAC name is tris(pyrazino[2,3-f]quinoxaline);ruthenium.

Molecular Properties

Compound Nametris(pyrazino[2,3-f]quinoxaline);ruthenium
PubChem CID57355129
Molecular FormulaC30H18N12Ru
Molecular Weight647.63 g/mol
Exact Mass648.08
IUPAC Nametris(pyrazino[2,3-f]quinoxaline);ruthenium
SMILES[Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
InChIInChI=1S/3C10H6N4.Ru/c3*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h3*1-6H;
InChIKeyJWTBBBVRYAHZRE-UHFFFAOYSA-N
XLogP4.72
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.63
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-methylimidazo[4,5-f]quinoxaline
CID 45078085
triazolo[4,5-i][1,5]benzodiazepine
CID 66654641
2,3-bis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
CID 15620161
5-aminoquinoxalin-6-ol
CID 136965708
6-bromo-5-fluoroquinoxaline
CID 154729420
16,19-diazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 175569006
bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 56973553
6-methyl-5-nitroquinoxaline
CID 55271660
1-methylimidazo[4,5-f]quinoxalin-2-amine
CID 86048725
5-chloro-6-propylquinoxaline
CID 163809027
1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine
CID 126651808
5-hydroxyquinoxaline-6-carboxylic acid
CID 135742585

Frequently Asked Questions

What is the IUPAC name of tris(pyrazino[2,3-f]quinoxaline);ruthenium?
The IUPAC name of tris(pyrazino[2,3-f]quinoxaline);ruthenium (CID 57355129) is tris(pyrazino[2,3-f]quinoxaline);ruthenium.
What is the SMILES notation for tris(pyrazino[2,3-f]quinoxaline);ruthenium?
The canonical SMILES for tris(pyrazino[2,3-f]quinoxaline);ruthenium is [Ru].c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1.
What is the InChIKey of tris(pyrazino[2,3-f]quinoxaline);ruthenium?
The InChIKey is JWTBBBVRYAHZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H6N4.Ru/c3*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h3*1-6H;.
What are the key properties of tris(pyrazino[2,3-f]quinoxaline);ruthenium?
tris(pyrazino[2,3-f]quinoxaline);ruthenium has a molecular weight of 647.63 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(pyrazino[2,3-f]quinoxaline);ruthenium is sourced from PubChem (CID 57355129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).