2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol

C17H15F3N4O — CID 142468012

IUPAC2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1cnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)12-4-3-5-13(10-12)22-15-7-2-1-6-14(15)16-21-11-24(23-16)8-9-25/h1-7,10-11,22,25H,8-9H2
InChIKeyQVWOWMGWHVDDRM-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.70
Rot. Bonds5

About 2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol

2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 142468012) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID142468012
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1cnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)12-4-3-5-13(10-12)22-15-7-2-1-6-14(15)16-21-11-24(23-16)8-9-25/h1-7,10-11,22,25H,8-9H2
InChIKeyQVWOWMGWHVDDRM-UHFFFAOYSA-N
XLogP3.70
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[3-(trifluoromethyl)anilino]phenyl]triazol-1-yl]ethanol
CID 135372869
2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
CID 135371932
2-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372551
2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[3-(trifluoromethyl)phenyl]aniline;N-[2-[5-[2-[3-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethyl]acetamide
CID 158563763
2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66269771
2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[3-(trifluoromethyl)phenyl]aniline;tert-butyl N-[2-[5-[2-[3-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethyl]carbamate
CID 160643507
2-[5-[2-[4-(1,1-difluoroethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 162609941
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline
CID 101233518
ethyl 3-chloropropanoate;ethyl 3-[5-[2-[3-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propanoate;2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline
CID 161217670
2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 135372433

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol (CID 142468012) is 2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol is OCCn1cnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is QVWOWMGWHVDDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c18-17(19,20)12-4-3-5-13(10-12)22-15-7-2-1-6-14(15)16-21-11-24(23-16)8-9-25/h1-7,10-11,22,25H,8-9H2.
What are the key properties of 2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol?
2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 348.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 142468012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).