4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol

C15H11F3N4O — CID 53476181

IUPAC4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol
SMILESOc1ccc(Nc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)10-3-1-2-9(8-10)13-20-14(22-21-13)19-11-4-6-12(23)7-5-11/h1-8,23H,(H2,19,20,21,22)
InChIKeyWZJXKBGBZSYHTP-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.94
Rot. Bonds3

About 4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol

4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol (PubChem CID 53476181) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol.

Molecular Properties

Compound Name4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol
PubChem CID53476181
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol
SMILESOc1ccc(Nc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)10-3-1-2-9(8-10)13-20-14(22-21-13)19-11-4-6-12(23)7-5-11/h1-8,23H,(H2,19,20,21,22)
InChIKeyWZJXKBGBZSYHTP-UHFFFAOYSA-N
XLogP3.94
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[5-(4-Bromo-phenyl)-1H-[1,2,4]triazol-3-ylazo]-phenol
CID 2840108
4-{[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl}phenol
CID 2850610
4-(5-Phenyl-4H-[1,2,4]triazol-3-ylazo)-phenol
CID 3115093
4-{[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]diazenyl}phenol
CID 3115142
[3-(2,4-difluoroanilino)-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol
CID 134806039
(3-anilino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 134806041
[3-(4-fluoroanilino)-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol
CID 134807293
Phenol, 2-(5-((4-fluorophenyl)amino)-4-phenyl-4H-1,2,4-triazol-3-yl)-
CID 3068017
4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol
CID 127025932
N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine
CID 53476182
3-[5-(4-Chloro-3-trifluoromethyl-phenylamino)-4h[1,2,4]triazol-3-yl]-phenol
CID 59135264
4-[5-(4-trifluoromethoxy-phenyl)-4H-[1,2,4]triazol-3-ylamino]-phenol
CID 59135376

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol?
The IUPAC name of 4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol (CID 53476181) is 4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol.
What is the SMILES notation for 4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol?
The canonical SMILES for 4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol is Oc1ccc(Nc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol?
The InChIKey is WZJXKBGBZSYHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c16-15(17,18)10-3-1-2-9(8-10)13-20-14(22-21-13)19-11-4-6-12(23)7-5-11/h1-8,23H,(H2,19,20,21,22).
What are the key properties of 4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol?
4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol has a molecular weight of 320.27 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol is sourced from PubChem (CID 53476181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).