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

C13H9ClF3N5O — CID 126648819

IUPAC7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cc(C(F)(F)F)ccc2Cl)c2n[nH]nc2n1
InChIInChI=1S/C13H9ClF3N5O/c14-8-2-1-7(13(15,16)17)3-6(8)5-23-9-4-10(18)19-12-11(9)20-22-21-12/h1-4H,5H2,(H3,18,19,20,21,22)
InChIKeyIUVYXUPMOORVTA-UHFFFAOYSA-N
MW343.70 g/mol
LogP3.19
Rot. Bonds3

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

7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126648819) has the molecular formula C13H9ClF3N5O and a molecular weight of 343.70 g/mol. Its IUPAC name is 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126648819
Molecular FormulaC13H9ClF3N5O
Molecular Weight343.70 g/mol
Exact Mass343.04
IUPAC Name7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cc(C(F)(F)F)ccc2Cl)c2n[nH]nc2n1
InChIInChI=1S/C13H9ClF3N5O/c14-8-2-1-7(13(15,16)17)3-6(8)5-23-9-4-10(18)19-12-11(9)20-22-21-12/h1-4H,5H2,(H3,18,19,20,21,22)
InChIKeyIUVYXUPMOORVTA-UHFFFAOYSA-N
XLogP3.19
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.70
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648919
7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
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-((4-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126678883
7-[[3-(2-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678929
7-[(2,6-dichlorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678975
7-((3-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126680348
7-[(2-chlorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126680363
7-[(2-chlorophenyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine
CID 145990826
US9604989, Example 29
CID 76283178

Frequently Asked Questions

What is the IUPAC name of 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126648819) is 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cc(C(F)(F)F)ccc2Cl)c2n[nH]nc2n1.
What is the InChIKey of 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is IUVYXUPMOORVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N5O/c14-8-2-1-7(13(15,16)17)3-6(8)5-23-9-4-10(18)19-12-11(9)20-22-21-12/h1-4H,5H2,(H3,18,19,20,21,22).
What are the key properties of 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 343.70 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126648819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).