1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole

C16H16F2N4Si — CID 174818079

IUPAC1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole
SMILESN[SiH](Cn1cncn1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16F2N4Si/c17-14-5-1-12(2-6-14)16(13-3-7-15(18)8-4-13)23(19)11-22-10-20-9-21-22/h1-10,16,23H,11,19H2
InChIKeyWTXKAIQFQDXVPR-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.15
Rot. Bonds5

About 1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole

1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole (PubChem CID 174818079) has the molecular formula C16H16F2N4Si and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole
PubChem CID174818079
Molecular FormulaC16H16F2N4Si
Molecular Weight330.41 g/mol
Exact Mass330.11
IUPAC Name1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole
SMILESN[SiH](Cn1cncn1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16F2N4Si/c17-14-5-1-12(2-6-14)16(13-3-7-15(18)8-4-13)23(19)11-22-10-20-9-21-22/h1-10,16,23H,11,19H2
InChIKeyWTXKAIQFQDXVPR-UHFFFAOYSA-N
XLogP2.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole 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

(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
CID 154059023
bis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane
CID 123325239
1-[2-(4-fluorophenyl)-4-(4-methylphenyl)butyl]-1,2,4-triazole;hydrochloride
CID 23315452
4-[1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzonitrile
CID 67791640
bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane
CID 154489904
(4-fluorophenyl)methyl-(1,2,4-triazol-1-ylmethyl)silane
CID 150513747
N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 96533403
4-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol
CID 67870604
4-[(2R,3S)-3-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyrimidine
CID 143529696
1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole
CID 70517867
1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole
CID 23274489
N-[(4-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)ethanamine
CID 115595738

Frequently Asked Questions

What is the IUPAC name of 1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole?
The IUPAC name of 1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole (CID 174818079) is 1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole?
The canonical SMILES for 1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole is N[SiH](Cn1cncn1)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole?
The InChIKey is WTXKAIQFQDXVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4Si/c17-14-5-1-12(2-6-14)16(13-3-7-15(18)8-4-13)23(19)11-22-10-20-9-21-22/h1-10,16,23H,11,19H2.
What are the key properties of 1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole?
1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole has a molecular weight of 330.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole is sourced from PubChem (CID 174818079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).