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

C21H13F6N3O — CID 155932731

IUPAC8-(4-methoxyphenyl)-3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cn3c(C(F)(F)F)nnc23)cc1
InChIInChI=1S/C21H13F6N3O/c1-31-16-8-4-13(5-9-16)17-10-14(12-2-6-15(7-3-12)20(22,23)24)11-30-18(17)28-29-19(30)21(25,26)27/h2-11H,1H3
InChIKeyGUVQYECHUTUPFG-UHFFFAOYSA-N
MW437.34 g/mol
LogP6.11
Rot. Bonds3

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

8-(4-methoxyphenyl)-3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 155932731) has the molecular formula C21H13F6N3O and a molecular weight of 437.34 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID155932731
Molecular FormulaC21H13F6N3O
Molecular Weight437.34 g/mol
Exact Mass437.10
IUPAC Name8-(4-methoxyphenyl)-3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cn3c(C(F)(F)F)nnc23)cc1
InChIInChI=1S/C21H13F6N3O/c1-31-16-8-4-13(5-9-16)17-10-14(12-2-6-15(7-3-12)20(22,23)24)11-30-18(17)28-29-19(30)21(25,26)27/h2-11H,1H3
InChIKeyGUVQYECHUTUPFG-UHFFFAOYSA-N
XLogP6.11
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329447
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
GS-458967
CID 58118983
3-(Cyclopropylmethyl)-7-(4-phenylcyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117971665
3,6-Bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 134179263
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
4-[3-(3-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329465
4-[3-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329466
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698
dorsomorphin (91E)
CID 50997746

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-(4-methoxyphenyl)-3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 155932731) is 8-(4-methoxyphenyl)-3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-(4-methoxyphenyl)-3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-(4-methoxyphenyl)-3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cn3c(C(F)(F)F)nnc23)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GUVQYECHUTUPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N3O/c1-31-16-8-4-13(5-9-16)17-10-14(12-2-6-15(7-3-12)20(22,23)24)11-30-18(17)28-29-19(30)21(25,26)27/h2-11H,1H3.
What are the key properties of 8-(4-methoxyphenyl)-3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
8-(4-methoxyphenyl)-3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 437.34 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 155932731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).