7-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C13H9ClF3N5O2 — CID 126648879

IUPAC7-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2c(Cl)cccc2OC(F)(F)F)c2n[nH]nc2n1
InChIInChI=1S/C13H9ClF3N5O2/c14-7-2-1-3-8(24-13(15,16)17)6(7)5-23-9-4-10(18)19-12-11(9)20-22-21-12/h1-4H,5H2,(H3,18,19,20,21,22)
InChIKeyACOQUNBVAAOZPG-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.07
Rot. Bonds4

About 7-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126648879) has the molecular formula C13H9ClF3N5O2 and a molecular weight of 359.70 g/mol. Its IUPAC name is 7-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126648879
Molecular FormulaC13H9ClF3N5O2
Molecular Weight359.70 g/mol
Exact Mass359.04
IUPAC Name7-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2c(Cl)cccc2OC(F)(F)F)c2n[nH]nc2n1
InChIInChI=1S/C13H9ClF3N5O2/c14-7-2-1-3-8(24-13(15,16)17)6(7)5-23-9-4-10(18)19-12-11(9)20-22-21-12/h1-4H,5H2,(H3,18,19,20,21,22)
InChIKeyACOQUNBVAAOZPG-UHFFFAOYSA-N
XLogP3.07
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[[2-chloro-6-(trifluoromethoxy)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)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-[[6-(trifluoromethyl)pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949703
7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950209
7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950299

Frequently Asked Questions

What is the IUPAC name of 7-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126648879) is 7-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2c(Cl)cccc2OC(F)(F)F)c2n[nH]nc2n1.
What is the InChIKey of 7-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is ACOQUNBVAAOZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N5O2/c14-7-2-1-3-8(24-13(15,16)17)6(7)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-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 359.70 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126648879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).