5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol

C15H10F3N3O3 — CID 11709803

IUPAC5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol
SMILESOc1cc(O)cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)c1
InChIInChI=1S/C15H10F3N3O3/c16-15(17,18)24-13-3-1-10(2-4-13)21-8-14(19-20-21)9-5-11(22)7-12(23)6-9/h1-8,22-23H
InChIKeyMKOLGIGSZLIFMO-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.24
Rot. Bonds3

About 5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol

5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol (PubChem CID 11709803) has the molecular formula C15H10F3N3O3 and a molecular weight of 337.26 g/mol. Its IUPAC name is 5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol
PubChem CID11709803
Molecular FormulaC15H10F3N3O3
Molecular Weight337.26 g/mol
Exact Mass337.07
IUPAC Name5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol
SMILESOc1cc(O)cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)c1
InChIInChI=1S/C15H10F3N3O3/c16-15(17,18)24-13-3-1-10(2-4-13)21-8-14(19-20-21)9-5-11(22)7-12(23)6-9/h1-8,22-23H
InChIKeyMKOLGIGSZLIFMO-UHFFFAOYSA-N
XLogP3.24
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol?
The IUPAC name of 5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol (CID 11709803) is 5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol is Oc1cc(O)cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)c1.
What is the InChIKey of 5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol?
The InChIKey is MKOLGIGSZLIFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3/c16-15(17,18)24-13-3-1-10(2-4-13)21-8-14(19-20-21)9-5-11(22)7-12(23)6-9/h1-8,22-23H.
What are the key properties of 5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol?
5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol has a molecular weight of 337.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]benzene-1,3-diol is sourced from PubChem (CID 11709803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).