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

C15H11F3N4O2 — CID 59135376

IUPAC4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol
SMILESOc1ccc(Nc2n[nH]c(-c3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)24-12-7-1-9(2-8-12)13-20-14(22-21-13)19-10-3-5-11(23)6-4-10/h1-8,23H,(H2,19,20,21,22)
InChIKeyWQZGAFFDPFGESP-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.82
Rot. Bonds4

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

4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol (PubChem CID 59135376) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol.

Molecular Properties

Compound Name4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol
PubChem CID59135376
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol
SMILESOc1ccc(Nc2n[nH]c(-c3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)24-12-7-1-9(2-8-12)13-20-14(22-21-13)19-10-3-5-11(23)6-4-10/h1-8,23H,(H2,19,20,21,22)
InChIKeyWQZGAFFDPFGESP-UHFFFAOYSA-N
XLogP3.82
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[3-[4-(trifluoromethoxy)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine
CID 59135308
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)quinazolin-6-ol
CID 171779400
5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
CID 17128167
5-[3-(fluoromethyl)phenyl]-N-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 118135330
5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 116648818
2,6-diphenyl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 11531564
4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 5062671
N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine
CID 53476287
4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one
CID 139976239
2,6-diamino-N-[4-[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]phenyl]hexanamide;dihydrochloride
CID 170158240
4-[2-(4-fluorophenyl)ethynyl]-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 166452191

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol?
The IUPAC name of 4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol (CID 59135376) is 4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol.
What is the SMILES notation for 4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol?
The canonical SMILES for 4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol is Oc1ccc(Nc2n[nH]c(-c3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol?
The InChIKey is WQZGAFFDPFGESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c16-15(17,18)24-12-7-1-9(2-8-12)13-20-14(22-21-13)19-10-3-5-11(23)6-4-10/h1-8,23H,(H2,19,20,21,22).
What are the key properties of 4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol?
4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol has a molecular weight of 336.27 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol is sourced from PubChem (CID 59135376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).