4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine

C20H13F3N4O — CID 139222693

IUPAC4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine
SMILESFC(F)(F)c1cccc(Oc2nnc(-c3ccncc3)n2-c2ccccc2)c1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)15-5-4-8-17(13-15)28-19-26-25-18(14-9-11-24-12-10-14)27(19)16-6-2-1-3-7-16/h1-13H
InChIKeyTYPRRLVVINGWTK-UHFFFAOYSA-N
MW382.35 g/mol
LogP5.14
Rot. Bonds4

About 4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine

4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine (PubChem CID 139222693) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is 4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine
PubChem CID139222693
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine
SMILESFC(F)(F)c1cccc(Oc2nnc(-c3ccncc3)n2-c2ccccc2)c1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)15-5-4-8-17(13-15)28-19-26-25-18(14-9-11-24-12-10-14)27(19)16-6-2-1-3-7-16/h1-13H
InChIKeyTYPRRLVVINGWTK-UHFFFAOYSA-N
XLogP5.14
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.35
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

GS-458967
CID 58118983
5-(3-(4-(3,5-difluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 46225048
(9) 1H-1,2,4-triazol-3-yl-anilines 3-F3CO(C6H4) 4-Pyridine
CID 57339840
(10) 1H-1,2,4-triazol-3-yl-anilines 4-F3CO(C6H4) 4-Pyridine
CID 57339841
Lmtk3-IN-1
CID 138454301
3-(5-methyl-4-(4-(3-(piperidin-1-yl)propoxy)phenyl)-4H-1,2,4-triazol-3-yl)pyridine
CID 71712245
4-(3-methoxyphenyl)-2-(4-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 16193783
2-[4-[4-(4-Methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11337030
1-benzyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 42633306
6-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 49781217
8-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 53325838
8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 53325949

Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine (CID 139222693) is 4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine is FC(F)(F)c1cccc(Oc2nnc(-c3ccncc3)n2-c2ccccc2)c1.
What is the InChIKey of 4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine?
The InChIKey is TYPRRLVVINGWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c21-20(22,23)15-5-4-8-17(13-15)28-19-26-25-18(14-9-11-24-12-10-14)27(19)16-6-2-1-3-7-16/h1-13H.
What are the key properties of 4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine?
4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine has a molecular weight of 382.35 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 139222693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).