6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C13H8BrF3N4 — CID 39080197

IUPAC6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Br)cn2c(-c3ccc(C(F)(F)F)cc3)nnc12
InChIInChI=1S/C13H8BrF3N4/c14-9-5-10(18)12-20-19-11(21(12)6-9)7-1-3-8(4-2-7)13(15,16)17/h1-6H,18H2
InChIKeyUAPSDJOBZNSFMO-UHFFFAOYSA-N
MW357.13 g/mol
LogP3.76
Rot. Bonds1

About 6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine

6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 39080197) has the molecular formula C13H8BrF3N4 and a molecular weight of 357.13 g/mol. Its IUPAC name is 6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID39080197
Molecular FormulaC13H8BrF3N4
Molecular Weight357.13 g/mol
Exact Mass355.99
IUPAC Name6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Br)cn2c(-c3ccc(C(F)(F)F)cc3)nnc12
InChIInChI=1S/C13H8BrF3N4/c14-9-5-10(18)12-20-19-11(21(12)6-9)7-1-3-8(4-2-7)13(15,16)17/h1-6H,18H2
InChIKeyUAPSDJOBZNSFMO-UHFFFAOYSA-N
XLogP3.76
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine with MolForge

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Related Compounds

8-methyl-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82059022
3-(4-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83966007
6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080153
6-fluoro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965957
3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 66849312
7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 3696703
3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080057
2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
CID 93206142
3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145311
2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 23005194
3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080157
7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327083

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 39080197) is 6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Nc1cc(Br)cn2c(-c3ccc(C(F)(F)F)cc3)nnc12.
What is the InChIKey of 6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is UAPSDJOBZNSFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N4/c14-9-5-10(18)12-20-19-11(21(12)6-9)7-1-3-8(4-2-7)13(15,16)17/h1-6H,18H2.
What are the key properties of 6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 357.13 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 39080197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).