samarium(3+);2H-triazole;trichloride

C2H3Cl3N3Sm — CID 174956176

IUPACsamarium(3+);2H-triazole;trichloride
SMILES[Cl-].[Cl-].[Cl-].[Sm+3].c1cn[nH]n1
InChIInChI=1S/C2H3N3.3ClH.Sm/c1-2-4-5-3-1;;;;/h1-2H,(H,3,4,5);3*1H;/q;;;;+3/p-3
InChIKeyNTGZBJYLHKQAOQ-UHFFFAOYSA-K
MW325.79 g/mol
LogP-9.18
Rot. Bonds

About samarium(3+);2H-triazole;trichloride

samarium(3+);2H-triazole;trichloride (PubChem CID 174956176) has the molecular formula C2H3Cl3N3Sm and a molecular weight of 325.79 g/mol. Its IUPAC name is samarium(3+);2H-triazole;trichloride.

Molecular Properties

Compound Namesamarium(3+);2H-triazole;trichloride
PubChem CID174956176
Molecular FormulaC2H3Cl3N3Sm
Molecular Weight325.79 g/mol
Exact Mass325.86
IUPAC Namesamarium(3+);2H-triazole;trichloride
SMILES[Cl-].[Cl-].[Cl-].[Sm+3].c1cn[nH]n1
InChIInChI=1S/C2H3N3.3ClH.Sm/c1-2-4-5-3-1;;;;/h1-2H,(H,3,4,5);3*1H;/q;;;;+3/p-3
InChIKeyNTGZBJYLHKQAOQ-UHFFFAOYSA-K
XLogP-9.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 5-9.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of samarium(3+);2H-triazole;trichloride?
The IUPAC name of samarium(3+);2H-triazole;trichloride (CID 174956176) is samarium(3+);2H-triazole;trichloride.
What is the SMILES notation for samarium(3+);2H-triazole;trichloride?
The canonical SMILES for samarium(3+);2H-triazole;trichloride is [Cl-].[Cl-].[Cl-].[Sm+3].c1cn[nH]n1.
What is the InChIKey of samarium(3+);2H-triazole;trichloride?
The InChIKey is NTGZBJYLHKQAOQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H3N3.3ClH.Sm/c1-2-4-5-3-1;;;;/h1-2H,(H,3,4,5);3*1H;/q;;;;+3/p-3.
What are the key properties of samarium(3+);2H-triazole;trichloride?
samarium(3+);2H-triazole;trichloride has a molecular weight of 325.79 g/mol, XLogP of -9.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for samarium(3+);2H-triazole;trichloride is sourced from PubChem (CID 174956176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).