5-phenyl-3-propan-2-yl-1,2-tellurazole

C12H13NTe — CID 101221996

IUPAC5-phenyl-3-propan-2-yl-1,2-tellurazole
SMILESCC(C)c1cc(-c2ccccc2)[te]n1
InChIInChI=1S/C12H13NTe/c1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyQNVAJCAVMJLXQK-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.93
Rot. Bonds2

About 5-phenyl-3-propan-2-yl-1,2-tellurazole

5-phenyl-3-propan-2-yl-1,2-tellurazole (PubChem CID 101221996) has the molecular formula C12H13NTe and a molecular weight of 298.84 g/mol. Its IUPAC name is 5-phenyl-3-propan-2-yl-1,2-tellurazole.

Molecular Properties

Compound Name5-phenyl-3-propan-2-yl-1,2-tellurazole
PubChem CID101221996
Molecular FormulaC12H13NTe
Molecular Weight298.84 g/mol
Exact Mass301.01
IUPAC Name5-phenyl-3-propan-2-yl-1,2-tellurazole
SMILESCC(C)c1cc(-c2ccccc2)[te]n1
InChIInChI=1S/C12H13NTe/c1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyQNVAJCAVMJLXQK-UHFFFAOYSA-N
XLogP2.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-phenyl-3-propan-2-yl-1,2-tellurazole?
The IUPAC name of 5-phenyl-3-propan-2-yl-1,2-tellurazole (CID 101221996) is 5-phenyl-3-propan-2-yl-1,2-tellurazole.
What is the SMILES notation for 5-phenyl-3-propan-2-yl-1,2-tellurazole?
The canonical SMILES for 5-phenyl-3-propan-2-yl-1,2-tellurazole is CC(C)c1cc(-c2ccccc2)[te]n1.
What is the InChIKey of 5-phenyl-3-propan-2-yl-1,2-tellurazole?
The InChIKey is QNVAJCAVMJLXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NTe/c1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 5-phenyl-3-propan-2-yl-1,2-tellurazole?
5-phenyl-3-propan-2-yl-1,2-tellurazole has a molecular weight of 298.84 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-propan-2-yl-1,2-tellurazole is sourced from PubChem (CID 101221996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).