1-benzyl-4-phenyl-5-phenyltellanyltriazole

C21H17N3Te — CID 71747257

IUPAC1-benzyl-4-phenyl-5-phenyltellanyltriazole
SMILESc1ccc(Cn2nnc(-c3ccccc3)c2[Te]c2ccccc2)cc1
InChIInChI=1S/C21H17N3Te/c1-4-10-17(11-5-1)16-24-21(25-19-14-8-3-9-15-19)20(22-23-24)18-12-6-2-7-13-18/h1-15H,16H2
InChIKeyUIBCPGYRJUEQBW-UHFFFAOYSA-N
MW438.99 g/mol
LogP2.65
Rot. Bonds5

About 1-benzyl-4-phenyl-5-phenyltellanyltriazole

1-benzyl-4-phenyl-5-phenyltellanyltriazole (PubChem CID 71747257) has the molecular formula C21H17N3Te and a molecular weight of 438.99 g/mol. Its IUPAC name is 1-benzyl-4-phenyl-5-phenyltellanyltriazole.

Molecular Properties

Compound Name1-benzyl-4-phenyl-5-phenyltellanyltriazole
PubChem CID71747257
Molecular FormulaC21H17N3Te
Molecular Weight438.99 g/mol
Exact Mass441.05
IUPAC Name1-benzyl-4-phenyl-5-phenyltellanyltriazole
SMILESc1ccc(Cn2nnc(-c3ccccc3)c2[Te]c2ccccc2)cc1
InChIInChI=1S/C21H17N3Te/c1-4-10-17(11-5-1)16-24-21(25-19-14-8-3-9-15-19)20(22-23-24)18-12-6-2-7-13-18/h1-15H,16H2
InChIKeyUIBCPGYRJUEQBW-UHFFFAOYSA-N
XLogP2.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.99
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenyl-5-phenyltellanyltriazole?
The IUPAC name of 1-benzyl-4-phenyl-5-phenyltellanyltriazole (CID 71747257) is 1-benzyl-4-phenyl-5-phenyltellanyltriazole.
What is the SMILES notation for 1-benzyl-4-phenyl-5-phenyltellanyltriazole?
The canonical SMILES for 1-benzyl-4-phenyl-5-phenyltellanyltriazole is c1ccc(Cn2nnc(-c3ccccc3)c2[Te]c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-phenyl-5-phenyltellanyltriazole?
The InChIKey is UIBCPGYRJUEQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3Te/c1-4-10-17(11-5-1)16-24-21(25-19-14-8-3-9-15-19)20(22-23-24)18-12-6-2-7-13-18/h1-15H,16H2.
What are the key properties of 1-benzyl-4-phenyl-5-phenyltellanyltriazole?
1-benzyl-4-phenyl-5-phenyltellanyltriazole has a molecular weight of 438.99 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenyl-5-phenyltellanyltriazole is sourced from PubChem (CID 71747257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).