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

C13H10F3N5O — CID 126678964

IUPAC7-[[3-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(OC(F)(F)F)c2)c2n[nH]nc2n1
InChIInChI=1S/C13H10F3N5O/c14-13(15,16)22-9-3-1-2-7(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)
InChIKeyXNEADFLSWBIWHY-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.42
Rot. Bonds3

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

7-[[3-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126678964) has the molecular formula C13H10F3N5O and a molecular weight of 309.25 g/mol. Its IUPAC name is 7-[[3-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[3-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126678964
Molecular FormulaC13H10F3N5O
Molecular Weight309.25 g/mol
Exact Mass309.08
IUPAC Name7-[[3-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(OC(F)(F)F)c2)c2n[nH]nc2n1
InChIInChI=1S/C13H10F3N5O/c14-13(15,16)22-9-3-1-2-7(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)
InChIKeyXNEADFLSWBIWHY-UHFFFAOYSA-N
XLogP2.42
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Fluoro-5-methoxyphenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46200734
Lmtk3-IN-1
CID 138454301
7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
6-(4-(Trifluoromethoxy)phenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 50905973
N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57391268
N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 57391610
7-((2-Fluorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648996
7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649069
7-[[3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678812
7-[[3-(2-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678929
6-(3-Methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 12726835
N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57399974

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[3-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126678964) is 7-[[3-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[3-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[3-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cccc(OC(F)(F)F)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[3-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is XNEADFLSWBIWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O/c14-13(15,16)22-9-3-1-2-7(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-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[3-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 309.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126678964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).