4-(4-trimethylsilyltriazol-1-yl)benzonitrile

C12H14N4Si — CID 15121756

IUPAC4-(4-trimethylsilyltriazol-1-yl)benzonitrile
SMILESC[Si](C)(C)c1cn(-c2ccc(C#N)cc2)nn1
InChIInChI=1S/C12H14N4Si/c1-17(2,3)12-9-16(15-14-12)11-6-4-10(8-13)5-7-11/h4-7,9H,1-3H3
InChIKeyJMXASNWHGXGWJK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.68
Rot. Bonds2

About 4-(4-trimethylsilyltriazol-1-yl)benzonitrile

4-(4-trimethylsilyltriazol-1-yl)benzonitrile (PubChem CID 15121756) has the molecular formula C12H14N4Si and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(4-trimethylsilyltriazol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-trimethylsilyltriazol-1-yl)benzonitrile
PubChem CID15121756
Molecular FormulaC12H14N4Si
Molecular Weight242.36 g/mol
Exact Mass242.10
IUPAC Name4-(4-trimethylsilyltriazol-1-yl)benzonitrile
SMILESC[Si](C)(C)c1cn(-c2ccc(C#N)cc2)nn1
InChIInChI=1S/C12H14N4Si/c1-17(2,3)12-9-16(15-14-12)11-6-4-10(8-13)5-7-11/h4-7,9H,1-3H3
InChIKeyJMXASNWHGXGWJK-UHFFFAOYSA-N
XLogP1.68
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(4-trimethylsilyltriazol-1-yl)benzonitrile?
The IUPAC name of 4-(4-trimethylsilyltriazol-1-yl)benzonitrile (CID 15121756) is 4-(4-trimethylsilyltriazol-1-yl)benzonitrile.
What is the SMILES notation for 4-(4-trimethylsilyltriazol-1-yl)benzonitrile?
The canonical SMILES for 4-(4-trimethylsilyltriazol-1-yl)benzonitrile is C[Si](C)(C)c1cn(-c2ccc(C#N)cc2)nn1.
What is the InChIKey of 4-(4-trimethylsilyltriazol-1-yl)benzonitrile?
The InChIKey is JMXASNWHGXGWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4Si/c1-17(2,3)12-9-16(15-14-12)11-6-4-10(8-13)5-7-11/h4-7,9H,1-3H3.
What are the key properties of 4-(4-trimethylsilyltriazol-1-yl)benzonitrile?
4-(4-trimethylsilyltriazol-1-yl)benzonitrile has a molecular weight of 242.36 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-trimethylsilyltriazol-1-yl)benzonitrile is sourced from PubChem (CID 15121756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).