2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile

C15H19FN4Si — CID 11044864

IUPAC2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile
SMILESC[Si](C)(C)CC(C#N)(Cn1cncn1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN4Si/c1-21(2,3)10-15(8-17,9-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,9-10H2,1-3H3
InChIKeyFZIOXGIYHUQMMX-UHFFFAOYSA-N
MW302.43 g/mol
LogP3.22
Rot. Bonds5

About 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile

2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile (PubChem CID 11044864) has the molecular formula C15H19FN4Si and a molecular weight of 302.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile
PubChem CID11044864
Molecular FormulaC15H19FN4Si
Molecular Weight302.43 g/mol
Exact Mass302.14
IUPAC Name2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile
SMILESC[Si](C)(C)CC(C#N)(Cn1cncn1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN4Si/c1-21(2,3)10-15(8-17,9-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,9-10H2,1-3H3
InChIKeyFZIOXGIYHUQMMX-UHFFFAOYSA-N
XLogP3.22
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Anastrozole
CID 2187
Myclobutanil
CID 6336
2-(5-((1H-1,2,4-triazol-1-yl)methyl)biphenyl-3-yl)-2-methylpropanenitrile
CID 23585671
1-[(3R)-3-phenylpentyl]-1,2,4-triazole
CID 25170487
1-[(3R)-3-phenylheptyl]-1,2,4-triazole
CID 25170670
1-[(3R)-3-(4-fluorophenyl)heptyl]-1,2,4-triazole
CID 25170867
1-[(3R)-3-(4-fluorophenyl)pentyl]-1,2,4-triazole
CID 25170662
1-[(3S)-3-(4-fluorophenyl)pentyl]-1,2,4-triazole
CID 25170663
1-[(3R)-3-phenylhexyl]-1,2,4-triazole
CID 25170667
1-[(3R)-3-(4-fluorophenyl)hexyl]-1,2,4-triazole
CID 25170668
1-[(3S)-3-(4-fluorophenyl)heptyl]-1,2,4-triazole
CID 25170868
1-[(3S)-3-phenylhexyl]-1,2,4-triazole
CID 25170873

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile?
The IUPAC name of 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile (CID 11044864) is 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile?
The canonical SMILES for 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile is C[Si](C)(C)CC(C#N)(Cn1cncn1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile?
The InChIKey is FZIOXGIYHUQMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4Si/c1-21(2,3)10-15(8-17,9-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,9-10H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile?
2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile has a molecular weight of 302.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilylpropanenitrile is sourced from PubChem (CID 11044864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).