ruthenium;1H-1,2,4-triazole

C2H3N3Ru — CID 157234848

IUPACruthenium;1H-1,2,4-triazole
SMILES[Ru].c1nc[nH]n1
InChIInChI=1S/C2H3N3.Ru/c1-3-2-5-4-1;/h1-2H,(H,3,4,5);
InChIKeyAUMZMWJKZNRGIS-UHFFFAOYSA-N
MW170.14 g/mol
LogP-0.20
Rot. Bonds

About ruthenium;1H-1,2,4-triazole

ruthenium;1H-1,2,4-triazole (PubChem CID 157234848) has the molecular formula C2H3N3Ru and a molecular weight of 170.14 g/mol. Its IUPAC name is ruthenium;1H-1,2,4-triazole.

Molecular Properties

Compound Nameruthenium;1H-1,2,4-triazole
PubChem CID157234848
Molecular FormulaC2H3N3Ru
Molecular Weight170.14 g/mol
Exact Mass170.94
IUPAC Nameruthenium;1H-1,2,4-triazole
SMILES[Ru].c1nc[nH]n1
InChIInChI=1S/C2H3N3.Ru/c1-3-2-5-4-1;/h1-2H,(H,3,4,5);
InChIKeyAUMZMWJKZNRGIS-UHFFFAOYSA-N
XLogP-0.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22361871
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Frequently Asked Questions

What is the IUPAC name of ruthenium;1H-1,2,4-triazole?
The IUPAC name of ruthenium;1H-1,2,4-triazole (CID 157234848) is ruthenium;1H-1,2,4-triazole.
What is the SMILES notation for ruthenium;1H-1,2,4-triazole?
The canonical SMILES for ruthenium;1H-1,2,4-triazole is [Ru].c1nc[nH]n1.
What is the InChIKey of ruthenium;1H-1,2,4-triazole?
The InChIKey is AUMZMWJKZNRGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3.Ru/c1-3-2-5-4-1;/h1-2H,(H,3,4,5);.
What are the key properties of ruthenium;1H-1,2,4-triazole?
ruthenium;1H-1,2,4-triazole has a molecular weight of 170.14 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium;1H-1,2,4-triazole is sourced from PubChem (CID 157234848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).