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

C14H12FN5O3 — CID 145039482

IUPAC7-[(2-fluoro-2-methyl-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC1(F)Oc2cccc(COc3cc(N)nc4n[nH]nc34)c2O1
InChIInChI=1S/C14H12FN5O3/c1-14(15)22-8-4-2-3-7(12(8)23-14)6-21-9-5-10(16)17-13-11(9)18-20-19-13/h2-5H,6H2,1H3,(H3,16,17,18,19,20)
InChIKeyMYELGRODUJUOPN-UHFFFAOYSA-N
MW317.28 g/mol
LogP1.93
Rot. Bonds3

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

7-[(2-fluoro-2-methyl-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 145039482) has the molecular formula C14H12FN5O3 and a molecular weight of 317.28 g/mol. Its IUPAC name is 7-[(2-fluoro-2-methyl-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(2-fluoro-2-methyl-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID145039482
Molecular FormulaC14H12FN5O3
Molecular Weight317.28 g/mol
Exact Mass317.09
IUPAC Name7-[(2-fluoro-2-methyl-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC1(F)Oc2cccc(COc3cc(N)nc4n[nH]nc34)c2O1
InChIInChI=1S/C14H12FN5O3/c1-14(15)22-8-4-2-3-7(12(8)23-14)6-21-9-5-10(16)17-13-11(9)18-20-19-13/h2-5H,6H2,1H3,(H3,16,17,18,19,20)
InChIKeyMYELGRODUJUOPN-UHFFFAOYSA-N
XLogP1.93
TPSA108.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[(2-fluoro-2-methyl-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
US10981879, Example 105
CID 130365222
US10214527, Example 20
CID 126679239
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
7-[[4-(2-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648637
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-fluoro-2-methyl-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(2-fluoro-2-methyl-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 145039482) is 7-[(2-fluoro-2-methyl-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(2-fluoro-2-methyl-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(2-fluoro-2-methyl-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is CC1(F)Oc2cccc(COc3cc(N)nc4n[nH]nc34)c2O1.
What is the InChIKey of 7-[(2-fluoro-2-methyl-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is MYELGRODUJUOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O3/c1-14(15)22-8-4-2-3-7(12(8)23-14)6-21-9-5-10(16)17-13-11(9)18-20-19-13/h2-5H,6H2,1H3,(H3,16,17,18,19,20).
What are the key properties of 7-[(2-fluoro-2-methyl-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(2-fluoro-2-methyl-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 317.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluoro-2-methyl-1,3-benzodioxol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 145039482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).