5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole

C11H10F3N3O — CID 174958066

IUPAC5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole
SMILESCCc1cc(OC(F)(F)F)cc(-c2ncn[nH]2)c1
InChIInChI=1S/C11H10F3N3O/c1-2-7-3-8(10-15-6-16-17-10)5-9(4-7)18-11(12,13)14/h3-6H,2H2,1H3,(H,15,16,17)
InChIKeyBBABLRQDMGTVLM-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.93
Rot. Bonds3

About 5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole

5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole (PubChem CID 174958066) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole
PubChem CID174958066
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole
SMILESCCc1cc(OC(F)(F)F)cc(-c2ncn[nH]2)c1
InChIInChI=1S/C11H10F3N3O/c1-2-7-3-8(10-15-6-16-17-10)5-9(4-7)18-11(12,13)14/h3-6H,2H2,1H3,(H,15,16,17)
InChIKeyBBABLRQDMGTVLM-UHFFFAOYSA-N
XLogP2.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole
CID 175871586
5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole;ethane
CID 142400279
[3-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 90938835
1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane
CID 143344817
3-(4-ethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3-ethylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;5-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole;5-(1H-1,2,4-triazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]-1H-indazole
CID 158318941
2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole
CID 87924536
5-[3-(3-ethoxyphenyl)-5-methylphenyl]-1H-1,2,4-triazole
CID 57158106
2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111814467
[1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105230325
1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene
CID 174779911
5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole
CID 90945795
5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 56617585

Frequently Asked Questions

What is the IUPAC name of 5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole (CID 174958066) is 5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole is CCc1cc(OC(F)(F)F)cc(-c2ncn[nH]2)c1.
What is the InChIKey of 5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole?
The InChIKey is BBABLRQDMGTVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-2-7-3-8(10-15-6-16-17-10)5-9(4-7)18-11(12,13)14/h3-6H,2H2,1H3,(H,15,16,17).
What are the key properties of 5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole?
5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole has a molecular weight of 257.22 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 174958066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).