5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole

C14H14F3N7 — CID 166399867

IUPAC5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole
SMILESFC(F)(F)c1ccccc1CCn1nnnc1CCn1cncn1
InChIInChI=1S/C14H14F3N7/c15-14(16,17)12-4-2-1-3-11(12)5-8-24-13(20-21-22-24)6-7-23-10-18-9-19-23/h1-4,9-10H,5-8H2
InChIKeyQGWJRVWKRYFSSG-UHFFFAOYSA-N
MW337.31 g/mol
LogP1.77
Rot. Bonds6

About 5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole

5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole (PubChem CID 166399867) has the molecular formula C14H14F3N7 and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole.

Molecular Properties

Compound Name5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole
PubChem CID166399867
Molecular FormulaC14H14F3N7
Molecular Weight337.31 g/mol
Exact Mass337.13
IUPAC Name5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole
SMILESFC(F)(F)c1ccccc1CCn1nnnc1CCn1cncn1
InChIInChI=1S/C14H14F3N7/c15-14(16,17)12-4-2-1-3-11(12)5-8-24-13(20-21-22-24)6-7-23-10-18-9-19-23/h1-4,9-10H,5-8H2
InChIKeyQGWJRVWKRYFSSG-UHFFFAOYSA-N
XLogP1.77
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole
CID 173307383
1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole
CID 86927239
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole
CID 70517867
2-(1,2,4-triazol-1-yl)ethyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 71860815
3-methyl-3-methylsulfanyl-1-(1,2,4-triazol-1-yl)-2-[2-(trifluoromethyl)phenyl]butan-2-ol
CID 22645501
N-[[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
CID 55109484
N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 55910481
2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
CID 55066755
5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole
CID 7465761
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 87015904
4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 11746021

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole?
The IUPAC name of 5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole (CID 166399867) is 5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole.
What is the SMILES notation for 5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole?
The canonical SMILES for 5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole is FC(F)(F)c1ccccc1CCn1nnnc1CCn1cncn1.
What is the InChIKey of 5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole?
The InChIKey is QGWJRVWKRYFSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7/c15-14(16,17)12-4-2-1-3-11(12)5-8-24-13(20-21-22-24)6-7-23-10-18-9-19-23/h1-4,9-10H,5-8H2.
What are the key properties of 5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole?
5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole has a molecular weight of 337.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole is sourced from PubChem (CID 166399867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).