1-benzyl-5-butyltellanyl-4-cyclopropyltriazole

C16H21N3Te — CID 71747084

IUPAC1-benzyl-5-butyltellanyl-4-cyclopropyltriazole
SMILESCCCC[Te]c1c(C2CC2)nnn1Cc1ccccc1
InChIInChI=1S/C16H21N3Te/c1-2-3-11-20-16-15(14-9-10-14)17-18-19(16)12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3
InChIKeyMTPGYLBSLVVWHY-UHFFFAOYSA-N
MW382.97 g/mol
LogP2.75
Rot. Bonds7

About 1-benzyl-5-butyltellanyl-4-cyclopropyltriazole

1-benzyl-5-butyltellanyl-4-cyclopropyltriazole (PubChem CID 71747084) has the molecular formula C16H21N3Te and a molecular weight of 382.97 g/mol. Its IUPAC name is 1-benzyl-5-butyltellanyl-4-cyclopropyltriazole.

Molecular Properties

Compound Name1-benzyl-5-butyltellanyl-4-cyclopropyltriazole
PubChem CID71747084
Molecular FormulaC16H21N3Te
Molecular Weight382.97 g/mol
Exact Mass385.08
IUPAC Name1-benzyl-5-butyltellanyl-4-cyclopropyltriazole
SMILESCCCC[Te]c1c(C2CC2)nnn1Cc1ccccc1
InChIInChI=1S/C16H21N3Te/c1-2-3-11-20-16-15(14-9-10-14)17-18-19(16)12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3
InChIKeyMTPGYLBSLVVWHY-UHFFFAOYSA-N
XLogP2.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.97
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-butyltellanyl-4-cyclopropyltriazole?
The IUPAC name of 1-benzyl-5-butyltellanyl-4-cyclopropyltriazole (CID 71747084) is 1-benzyl-5-butyltellanyl-4-cyclopropyltriazole.
What is the SMILES notation for 1-benzyl-5-butyltellanyl-4-cyclopropyltriazole?
The canonical SMILES for 1-benzyl-5-butyltellanyl-4-cyclopropyltriazole is CCCC[Te]c1c(C2CC2)nnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-butyltellanyl-4-cyclopropyltriazole?
The InChIKey is MTPGYLBSLVVWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3Te/c1-2-3-11-20-16-15(14-9-10-14)17-18-19(16)12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3.
What are the key properties of 1-benzyl-5-butyltellanyl-4-cyclopropyltriazole?
1-benzyl-5-butyltellanyl-4-cyclopropyltriazole has a molecular weight of 382.97 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-butyltellanyl-4-cyclopropyltriazole is sourced from PubChem (CID 71747084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).