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

C14H12F3N5O2 — CID 126649167

IUPAC7-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1ccc(C(F)(F)F)cc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C14H12F3N5O2/c1-23-9-3-2-8(14(15,16)17)4-7(9)6-24-10-5-11(18)19-13-12(10)20-22-21-13/h2-5H,6H2,1H3,(H3,18,19,20,21,22)
InChIKeyDSGSETQEGKCKBZ-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.54
Rot. Bonds4

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

7-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126649167) has the molecular formula C14H12F3N5O2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 7-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126649167
Molecular FormulaC14H12F3N5O2
Molecular Weight339.28 g/mol
Exact Mass339.09
IUPAC Name7-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1ccc(C(F)(F)F)cc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C14H12F3N5O2/c1-23-9-3-2-8(14(15,16)17)4-7(9)6-24-10-5-11(18)19-13-12(10)20-22-21-13/h2-5H,6H2,1H3,(H3,18,19,20,21,22)
InChIKeyDSGSETQEGKCKBZ-UHFFFAOYSA-N
XLogP2.54
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[[2-methoxy-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-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648904
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
US10214527, Example 29
CID 126678964

Frequently Asked Questions

What is the IUPAC name of 7-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126649167) is 7-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is COc1ccc(C(F)(F)F)cc1COc1cc(N)nc2n[nH]nc12.
What is the InChIKey of 7-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is DSGSETQEGKCKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2/c1-23-9-3-2-8(14(15,16)17)4-7(9)6-24-10-5-11(18)19-13-12(10)20-22-21-13/h2-5H,6H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 7-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 339.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126649167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).