7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C13H9F2N5O3 — CID 118950299

IUPAC7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc3c2OC(F)(F)O3)c2n[nH]nc2n1
InChIInChI=1S/C13H9F2N5O3/c14-13(15)22-7-3-1-2-6(11(7)23-13)5-21-8-4-9(16)17-12-10(8)18-20-19-12/h1-4H,5H2,(H3,16,17,18,19,20)
InChIKeyZPVWXFARZKZBNJ-UHFFFAOYSA-N
MW321.24 g/mol
LogP1.84
Rot. Bonds3

About 7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118950299) has the molecular formula C13H9F2N5O3 and a molecular weight of 321.24 g/mol. Its IUPAC name is 7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118950299
Molecular FormulaC13H9F2N5O3
Molecular Weight321.24 g/mol
Exact Mass321.07
IUPAC Name7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc3c2OC(F)(F)O3)c2n[nH]nc2n1
InChIInChI=1S/C13H9F2N5O3/c14-13(15)22-7-3-1-2-6(11(7)23-13)5-21-8-4-9(16)17-12-10(8)18-20-19-12/h1-4H,5H2,(H3,16,17,18,19,20)
InChIKeyZPVWXFARZKZBNJ-UHFFFAOYSA-N
XLogP1.84
TPSA108.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[(2,2-difluoro-1,3-benzodioxol-4-yl)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-((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-[[3-(2-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678929
US10214527, Example 29
CID 126678964
US10981879, Example 105
CID 130365222
US10214527, Example 20
CID 126679239
7-[[4-(2-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648637
7-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648641
7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648702
7-[[4-bromo-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648718
7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648720

Frequently Asked Questions

What is the IUPAC name of 7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118950299) is 7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cccc3c2OC(F)(F)O3)c2n[nH]nc2n1.
What is the InChIKey of 7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is ZPVWXFARZKZBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N5O3/c14-13(15)22-7-3-1-2-6(11(7)23-13)5-21-8-4-9(16)17-12-10(8)18-20-19-12/h1-4H,5H2,(H3,16,17,18,19,20).
What are the key properties of 7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 321.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118950299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).