7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C12H9F3N6O — CID 118949703

IUPAC7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(C(F)(F)F)n2)c2n[nH]nc2n1
InChIInChI=1S/C12H9F3N6O/c13-12(14,15)8-3-1-2-6(17-8)5-22-7-4-9(16)18-11-10(7)19-21-20-11/h1-4H,5H2,(H3,16,18,19,20,21)
InChIKeyRZACWRLJLIIGKH-UHFFFAOYSA-N
MW310.24 g/mol
LogP1.93
Rot. Bonds3

About 7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118949703) has the molecular formula C12H9F3N6O and a molecular weight of 310.24 g/mol. Its IUPAC name is 7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118949703
Molecular FormulaC12H9F3N6O
Molecular Weight310.24 g/mol
Exact Mass310.08
IUPAC Name7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(C(F)(F)F)n2)c2n[nH]nc2n1
InChIInChI=1S/C12H9F3N6O/c13-12(14,15)8-3-1-2-6(17-8)5-22-7-4-9(16)18-11-10(7)19-21-20-11/h1-4H,5H2,(H3,16,18,19,20,21)
InChIKeyRZACWRLJLIIGKH-UHFFFAOYSA-N
XLogP1.93
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
7-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950056
7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950274
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
[5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol
CID 130365899

Frequently Asked Questions

What is the IUPAC name of 7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118949703) is 7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cccc(C(F)(F)F)n2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is RZACWRLJLIIGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6O/c13-12(14,15)8-3-1-2-6(17-8)5-22-7-4-9(16)18-11-10(7)19-21-20-11/h1-4H,5H2,(H3,16,18,19,20,21).
What are the key properties of 7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 310.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118949703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).