(1-benzyl-5-iodotriazol-4-yl)-trimethylsilane

C12H16IN3Si — CID 102502085

IUPAC(1-benzyl-5-iodotriazol-4-yl)-trimethylsilane
SMILESC[Si](C)(C)c1nnn(Cc2ccccc2)c1I
InChIInChI=1S/C12H16IN3Si/c1-17(2,3)12-11(13)16(15-14-12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyBVHYVPQMJRVMOV-UHFFFAOYSA-N
MW357.27 g/mol
LogP2.48
Rot. Bonds3

About (1-benzyl-5-iodotriazol-4-yl)-trimethylsilane

(1-benzyl-5-iodotriazol-4-yl)-trimethylsilane (PubChem CID 102502085) has the molecular formula C12H16IN3Si and a molecular weight of 357.27 g/mol. Its IUPAC name is (1-benzyl-5-iodotriazol-4-yl)-trimethylsilane.

Molecular Properties

Compound Name(1-benzyl-5-iodotriazol-4-yl)-trimethylsilane
PubChem CID102502085
Molecular FormulaC12H16IN3Si
Molecular Weight357.27 g/mol
Exact Mass357.02
IUPAC Name(1-benzyl-5-iodotriazol-4-yl)-trimethylsilane
SMILESC[Si](C)(C)c1nnn(Cc2ccccc2)c1I
InChIInChI=1S/C12H16IN3Si/c1-17(2,3)12-11(13)16(15-14-12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyBVHYVPQMJRVMOV-UHFFFAOYSA-N
XLogP2.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-iodotriazol-4-yl)-trimethylsilane?
The IUPAC name of (1-benzyl-5-iodotriazol-4-yl)-trimethylsilane (CID 102502085) is (1-benzyl-5-iodotriazol-4-yl)-trimethylsilane.
What is the SMILES notation for (1-benzyl-5-iodotriazol-4-yl)-trimethylsilane?
The canonical SMILES for (1-benzyl-5-iodotriazol-4-yl)-trimethylsilane is C[Si](C)(C)c1nnn(Cc2ccccc2)c1I.
What is the InChIKey of (1-benzyl-5-iodotriazol-4-yl)-trimethylsilane?
The InChIKey is BVHYVPQMJRVMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3Si/c1-17(2,3)12-11(13)16(15-14-12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of (1-benzyl-5-iodotriazol-4-yl)-trimethylsilane?
(1-benzyl-5-iodotriazol-4-yl)-trimethylsilane has a molecular weight of 357.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-iodotriazol-4-yl)-trimethylsilane is sourced from PubChem (CID 102502085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).