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

C15H10F3N3O — CID 175871586

IUPAC5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole
SMILESFC(F)(F)Oc1ccc(-c2cccc(-c3ncn[nH]3)c2)cc1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)22-13-6-4-10(5-7-13)11-2-1-3-12(8-11)14-19-9-20-21-14/h1-9H,(H,19,20,21)
InChIKeyBAIBXXQCDNGOJL-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.04
Rot. Bonds3

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

5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole (PubChem CID 175871586) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole
PubChem CID175871586
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole
SMILESFC(F)(F)Oc1ccc(-c2cccc(-c3ncn[nH]3)c2)cc1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)22-13-6-4-10(5-7-13)11-2-1-3-12(8-11)14-19-9-20-21-14/h1-9H,(H,19,20,21)
InChIKeyBAIBXXQCDNGOJL-UHFFFAOYSA-N
XLogP4.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole
CID 175871608
2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111814467
5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole
CID 90945795
5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole
CID 174958066
[3-[4-(trifluoromethoxy)phenyl]phenyl]methylazanide
CID 157271933
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
3-(1H-1,2,4-triazol-5-yl)benzaldehyde
CID 57474703
5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole
CID 150662975
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole (CID 175871586) is 5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole is FC(F)(F)Oc1ccc(-c2cccc(-c3ncn[nH]3)c2)cc1.
What is the InChIKey of 5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole?
The InChIKey is BAIBXXQCDNGOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)22-13-6-4-10(5-7-13)11-2-1-3-12(8-11)14-19-9-20-21-14/h1-9H,(H,19,20,21).
What are the key properties of 5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole?
5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole has a molecular weight of 305.26 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 175871586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).