6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine

C9H5F3N6S — CID 114352910

IUPAC6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine
SMILESNc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)nc1
InChIInChI=1S/C9H5F3N6S/c10-9(11,12)7-15-16-8-18(7)17-6(19-8)5-2-1-4(13)3-14-5/h1-3H,13H2
InChIKeyKOFVVFHCQKSBOA-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.85
Rot. Bonds1

About 6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine

6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine (PubChem CID 114352910) has the molecular formula C9H5F3N6S and a molecular weight of 286.24 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine
PubChem CID114352910
Molecular FormulaC9H5F3N6S
Molecular Weight286.24 g/mol
Exact Mass286.02
IUPAC Name6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine
SMILESNc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)nc1
InChIInChI=1S/C9H5F3N6S/c10-9(11,12)7-15-16-8-18(7)17-6(19-8)5-2-1-4(13)3-14-5/h1-3H,13H2
InChIKeyKOFVVFHCQKSBOA-UHFFFAOYSA-N
XLogP1.85
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dichloro-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
CID 107050307
2-methyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
CID 82048281
2-methyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole
CID 51043868
6-(furan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 667007
4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol
CID 136903903
4-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]thiophen-3-amine
CID 114915776
6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 52899363
3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzene-1,2-diol
CID 136991425
6-(3-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850279
5-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
CID 136991416
6-(2-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2986008
3-fluoro-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
CID 136751648

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine?
The IUPAC name of 6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine (CID 114352910) is 6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine.
What is the SMILES notation for 6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine?
The canonical SMILES for 6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine is Nc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)nc1.
What is the InChIKey of 6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine?
The InChIKey is KOFVVFHCQKSBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N6S/c10-9(11,12)7-15-16-8-18(7)17-6(19-8)5-2-1-4(13)3-14-5/h1-3H,13H2.
What are the key properties of 6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine?
6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine has a molecular weight of 286.24 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine is sourced from PubChem (CID 114352910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).