7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C14H12F3N5O2 — CID 126648939

IUPAC7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC(Oc1cc(N)nc2n[nH]nc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H12F3N5O2/c1-7(8-2-4-9(5-3-8)24-14(15,16)17)23-10-6-11(18)19-13-12(10)20-22-21-13/h2-7H,1H3,(H3,18,19,20,21,22)
InChIKeyUUMLQHLXIAENCZ-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.97
Rot. Bonds4

About 7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126648939) has the molecular formula C14H12F3N5O2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126648939
Molecular FormulaC14H12F3N5O2
Molecular Weight339.28 g/mol
Exact Mass339.09
IUPAC Name7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC(Oc1cc(N)nc2n[nH]nc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H12F3N5O2/c1-7(8-2-4-9(5-3-8)24-14(15,16)17)23-10-6-11(18)19-13-12(10)20-22-21-13/h2-7H,1H3,(H3,18,19,20,21,22)
InChIKeyUUMLQHLXIAENCZ-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950274
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
7-[[3-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine
CID 145987843

Frequently Asked Questions

What is the IUPAC name of 7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126648939) is 7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine is CC(Oc1cc(N)nc2n[nH]nc12)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is UUMLQHLXIAENCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2/c1-7(8-2-4-9(5-3-8)24-14(15,16)17)23-10-6-11(18)19-13-12(10)20-22-21-13/h2-7H,1H3,(H3,18,19,20,21,22).
What are the key properties of 7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 339.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126648939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).