[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane

C10H12FN3Si — CID 151965037

IUPAC[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane
SMILESC[SiH2]Cn1cnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H12FN3Si/c1-15-7-14-6-12-10(13-14)8-2-4-9(11)5-3-8/h2-6H,7,15H2,1H3
InChIKeyTZLYWSGMYAZKHT-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.26
Rot. Bonds3

About [3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane

[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane (PubChem CID 151965037) has the molecular formula C10H12FN3Si and a molecular weight of 221.31 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane
PubChem CID151965037
Molecular FormulaC10H12FN3Si
Molecular Weight221.31 g/mol
Exact Mass221.08
IUPAC Name[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane
SMILESC[SiH2]Cn1cnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H12FN3Si/c1-15-7-14-6-12-10(13-14)8-2-4-9(11)5-3-8/h2-6H,7,15H2,1H3
InChIKeyTZLYWSGMYAZKHT-UHFFFAOYSA-N
XLogP1.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 155805329
1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine
CID 173210214
4-[1-(3-methylbut-2-enyl)-1,2,4-triazol-3-yl]aniline
CID 114014065
3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol
CID 141010071
1-[(3-chloro-4-fluorophenyl)methyl]-3-(4-iodophenyl)-1,2,4-triazole
CID 103042259
1-ethyl-4,5-bis(4-fluorophenyl)imidazole
CID 56925474
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
2-(4-fluorophenyl)pyrimidin-5-ol
CID 15095345
1-[(4-methylphenyl)methyl]-3-(4-nitrophenyl)-1,2,4-triazole
CID 60617431
1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine
CID 17394198
5-(chloromethyl)-2-(4-fluorophenyl)-1-methylimidazole
CID 44818488
[5-(4-fluorophenyl)-3-methylimidazol-4-yl]methanol
CID 10560192

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane?
The IUPAC name of [3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane (CID 151965037) is [3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane.
What is the SMILES notation for [3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane?
The canonical SMILES for [3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane is C[SiH2]Cn1cnc(-c2ccc(F)cc2)n1.
What is the InChIKey of [3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane?
The InChIKey is TZLYWSGMYAZKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3Si/c1-15-7-14-6-12-10(13-14)8-2-4-9(11)5-3-8/h2-6H,7,15H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane?
[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane has a molecular weight of 221.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane is sourced from PubChem (CID 151965037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).