7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C13H10F3N5 — CID 135341285

IUPAC7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(C(F)(F)F)c2)c2n[nH]nc2n1
InChIInChI=1S/C13H10F3N5/c14-13(15,16)9-3-1-2-7(5-9)4-8-6-10(17)18-12-11(8)19-21-20-12/h1-3,5-6H,4H2,(H3,17,18,19,20,21)
InChIKeyOULGOWJVPMGCES-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.54
Rot. Bonds2

About 7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 135341285) has the molecular formula C13H10F3N5 and a molecular weight of 293.25 g/mol. Its IUPAC name is 7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID135341285
Molecular FormulaC13H10F3N5
Molecular Weight293.25 g/mol
Exact Mass293.09
IUPAC Name7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(C(F)(F)F)c2)c2n[nH]nc2n1
InChIInChI=1S/C13H10F3N5/c14-13(15,16)9-3-1-2-7(5-9)4-8-6-10(17)18-12-11(8)19-21-20-12/h1-3,5-6H,4H2,(H3,17,18,19,20,21)
InChIKeyOULGOWJVPMGCES-UHFFFAOYSA-N
XLogP2.54
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
Mpo-IN-4
CID 126650041
7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 130450939
7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
Dyrk1A-IN-4
CID 135335888
3-hydrazinyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole
CID 6401261
N-(4-methylphenyl)-4-tetrazolo[1,5-a]quinoxalinamine
CID 16193211
3Ethyl-6-(alpha,alpha,alpha-trifluoro-m-tolyl)-1,2,4-triazolo[4,3-b]pyridazine
CID 9971560
3-(Chloromethyl)-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazolo[4,3-b]pyridazine
CID 12726862
3-Methyl-6-[3-(amino)phenyl]-1,2,4-triazolo[4,3-b]pyridazine
CID 12726868
5-Methyl-7-(2-trifluoromethyl-phenyl)-3-(2,4,6-trimethyl-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 18691322
N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 57393369

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 135341285) is 7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cccc(C(F)(F)F)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is OULGOWJVPMGCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5/c14-13(15,16)9-3-1-2-7(5-9)4-8-6-10(17)18-12-11(8)19-21-20-12/h1-3,5-6H,4H2,(H3,17,18,19,20,21).
What are the key properties of 7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 293.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(trifluoromethyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 135341285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).