3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H8F3N5OS — CID 52901562

IUPAC3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)Oc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1
InChIInChI=1S/C15H8F3N5OS/c16-15(17,18)24-11-3-1-10(2-4-11)13-22-23-12(20-21-14(23)25-13)9-5-7-19-8-6-9/h1-8H
InChIKeyCUDGHLQCVWZJQR-UHFFFAOYSA-N
MW363.32 g/mol
LogP3.81
Rot. Bonds3

About 3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 52901562) has the molecular formula C15H8F3N5OS and a molecular weight of 363.32 g/mol. Its IUPAC name is 3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID52901562
Molecular FormulaC15H8F3N5OS
Molecular Weight363.32 g/mol
Exact Mass363.04
IUPAC Name3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)Oc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1
InChIInChI=1S/C15H8F3N5OS/c16-15(17,18)24-11-3-1-10(2-4-11)13-22-23-12(20-21-14(23)25-13)9-5-7-19-8-6-9/h1-8H
InChIKeyCUDGHLQCVWZJQR-UHFFFAOYSA-N
XLogP3.81
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 936091
6-(3,4-Dimethoxyphenyl)-3-pyridin-2-yl-(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazole
CID 662931
6-(3-Methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662681
6-[(4-Methoxyphenoxy)methyl]-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1234090
6-(1,3-Benzodioxol-5-yl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16414816
3-[(3-Methoxyphenyl)methylsulfanyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 936130
6-(Phenoxymethyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662259
Phenyl [3-(3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl ether
CID 662380
6-(4-methoxyphenyl)-3-(pyridin-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 662866
6-(Phenoxymethyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663133
6-(4-methoxyphenyl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 663229
3-Pyridin-3-yl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663279

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 52901562) is 3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is FC(F)(F)Oc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1.
What is the InChIKey of 3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is CUDGHLQCVWZJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N5OS/c16-15(17,18)24-11-3-1-10(2-4-11)13-22-23-12(20-21-14(23)25-13)9-5-7-19-8-6-9/h1-8H.
What are the key properties of 3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 363.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 52901562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).