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

C9H8F3N3O2 — CID 23048508

IUPAC1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole
SMILESON1C=CN(c2ccc(OC(F)(F)F)cc2)N1
InChIInChI=1S/C9H8F3N3O2/c10-9(11,12)17-8-3-1-7(2-4-8)14-5-6-15(16)13-14/h1-6,13,16H
InChIKeyHYCXYQQSBREYND-UHFFFAOYSA-N
MW247.18 g/mol
LogP1.99
Rot. Bonds2

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

1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole (PubChem CID 23048508) has the molecular formula C9H8F3N3O2 and a molecular weight of 247.18 g/mol. Its IUPAC name is 1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole.

Molecular Properties

Compound Name1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole
PubChem CID23048508
Molecular FormulaC9H8F3N3O2
Molecular Weight247.18 g/mol
Exact Mass247.06
IUPAC Name1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole
SMILESON1C=CN(c2ccc(OC(F)(F)F)cc2)N1
InChIInChI=1S/C9H8F3N3O2/c10-9(11,12)17-8-3-1-7(2-4-8)14-5-6-15(16)13-14/h1-6,13,16H
InChIKeyHYCXYQQSBREYND-UHFFFAOYSA-N
XLogP1.99
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[3-[4-(trifluoromethoxy)phenyl]-2H-triazol-1-yl]oxy]propanoate
CID 23048449
1-[4-(trifluoromethoxy)phenyl]pyrazolidine
CID 141290039
2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane
CID 135192815
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
1-[4-(trifluoromethoxy)phenyl]-2H-pyridine
CID 151254586
5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole
CID 171483142
4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one
CID 171061640
(3aR,7aS)-2-[4-(trifluoromethoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98353834
(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171252024
5-sulfanylidene-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazolidin-3-one
CID 25196619
1-[4-(trifluoromethoxy)phenyl]-2H-tetrazole-5-thione
CID 2732840
4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine
CID 175691853

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole?
The IUPAC name of 1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole (CID 23048508) is 1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole.
What is the SMILES notation for 1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole?
The canonical SMILES for 1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole is ON1C=CN(c2ccc(OC(F)(F)F)cc2)N1.
What is the InChIKey of 1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole?
The InChIKey is HYCXYQQSBREYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2/c10-9(11,12)17-8-3-1-7(2-4-8)14-5-6-15(16)13-14/h1-6,13,16H.
What are the key properties of 1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole?
1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole has a molecular weight of 247.18 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole is sourced from PubChem (CID 23048508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).