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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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).