6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine

C14H9F6N3O — CID 123238037

IUPAC6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)Oc1ccc(C2=Cn3c(nnc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C14H9F6N3O/c15-13(16,17)12-22-21-11-6-3-9(7-23(11)12)8-1-4-10(5-2-8)24-14(18,19)20/h1-2,4-5,7H,3,6H2
InChIKeyWWPZCVOKLIXSPP-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.14
Rot. Bonds2

About 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine

6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 123238037) has the molecular formula C14H9F6N3O and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID123238037
Molecular FormulaC14H9F6N3O
Molecular Weight349.23 g/mol
Exact Mass349.06
IUPAC Name6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)Oc1ccc(C2=Cn3c(nnc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C14H9F6N3O/c15-13(16,17)12-22-21-11-6-3-9(7-23(11)12)8-1-4-10(5-2-8)24-14(18,19)20/h1-2,4-5,7H,3,6H2
InChIKeyWWPZCVOKLIXSPP-UHFFFAOYSA-N
XLogP4.14
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 53620335
3-(4-Methoxyphenethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 91889160
3-[(2-Methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117148913
3-[2-(4-methoxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 136551578
3-(4-Methoxyphenyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 20255071
6-[4-[4-(4,4,4-Trifluorobutoxy)phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
CID 46892692
1-[3-[4-(Trifluoromethoxy)phenyl]propyl]-1,2,4-triazole
CID 57245071
4-Methyl-3-pent-4-enyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 57691903
2-Bromo-8-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66618676
3-(4-Methoxyphenyl)-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 89606154
N-[5-fluoro-6-(5-methyl-1,2,4-triazol-1-yl)hepta-2,4,6-trien-3-yl]-1-[5-[4-(trifluoromethoxy)phenyl]pentyl]-2H-1,3,5-triazin-4-amine
CID 91022492
1,3-Dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole
CID 91259037

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 123238037) is 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)Oc1ccc(C2=Cn3c(nnc3C(F)(F)F)CC2)cc1.
What is the InChIKey of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WWPZCVOKLIXSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3O/c15-13(16,17)12-22-21-11-6-3-9(7-23(11)12)8-1-4-10(5-2-8)24-14(18,19)20/h1-2,4-5,7H,3,6H2.
What are the key properties of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 349.23 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 123238037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).