7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C12H9F2N5O — CID 126649109

IUPAC7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(F)c2F)c2n[nH]nc2n1
InChIInChI=1S/C12H9F2N5O/c13-7-3-1-2-6(10(7)14)5-20-8-4-9(15)16-12-11(8)17-19-18-12/h1-4H,5H2,(H3,15,16,17,18,19)
InChIKeyLDZJAOOWGKOCPE-UHFFFAOYSA-N
MW277.23 g/mol
LogP1.79
Rot. Bonds3

About 7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126649109) has the molecular formula C12H9F2N5O and a molecular weight of 277.23 g/mol. Its IUPAC name is 7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126649109
Molecular FormulaC12H9F2N5O
Molecular Weight277.23 g/mol
Exact Mass277.08
IUPAC Name7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(F)c2F)c2n[nH]nc2n1
InChIInChI=1S/C12H9F2N5O/c13-7-3-1-2-6(10(7)14)5-20-8-4-9(15)16-12-11(8)17-19-18-12/h1-4H,5H2,(H3,15,16,17,18,19)
InChIKeyLDZJAOOWGKOCPE-UHFFFAOYSA-N
XLogP1.79
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine
CID 6418797
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-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648929
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-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648798
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-[(2-pyrazol-1-ylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649120
7-[[3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678812

Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126649109) is 7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cccc(F)c2F)c2n[nH]nc2n1.
What is the InChIKey of 7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is LDZJAOOWGKOCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N5O/c13-7-3-1-2-6(10(7)14)5-20-8-4-9(15)16-12-11(8)17-19-18-12/h1-4H,5H2,(H3,15,16,17,18,19).
What are the key properties of 7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 277.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126649109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).