2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile

C14H10F2N6O2 — CID 126649057

IUPAC2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile
SMILESN#Cc1ccc(OC(F)F)cc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C14H10F2N6O2/c15-14(16)24-9-2-1-7(5-17)8(3-9)6-23-10-4-11(18)19-13-12(10)20-22-21-13/h1-4,14H,6H2,(H3,18,19,20,21,22)
InChIKeyDEKHMFVEUBUXNQ-UHFFFAOYSA-N
MW332.27 g/mol
LogP1.99
Rot. Bonds5

About 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile

2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile (PubChem CID 126649057) has the molecular formula C14H10F2N6O2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile.

Molecular Properties

Compound Name2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile
PubChem CID126649057
Molecular FormulaC14H10F2N6O2
Molecular Weight332.27 g/mol
Exact Mass332.08
IUPAC Name2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile
SMILESN#Cc1ccc(OC(F)F)cc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C14H10F2N6O2/c15-14(16)24-9-2-1-7(5-17)8(3-9)6-23-10-4-11(18)19-13-12(10)20-22-21-13/h1-4,14H,6H2,(H3,18,19,20,21,22)
InChIKeyDEKHMFVEUBUXNQ-UHFFFAOYSA-N
XLogP1.99
TPSA122.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile 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)-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-((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
US10214527, Example 29
CID 126678964
US10214527, Example 27
CID 126679215
US10981879, Example 109
CID 130378565

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile?
The IUPAC name of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile (CID 126649057) is 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile.
What is the SMILES notation for 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile?
The canonical SMILES for 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile is N#Cc1ccc(OC(F)F)cc1COc1cc(N)nc2n[nH]nc12.
What is the InChIKey of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile?
The InChIKey is DEKHMFVEUBUXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N6O2/c15-14(16)24-9-2-1-7(5-17)8(3-9)6-23-10-4-11(18)19-13-12(10)20-22-21-13/h1-4,14H,6H2,(H3,18,19,20,21,22).
What are the key properties of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile?
2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile has a molecular weight of 332.27 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile is sourced from PubChem (CID 126649057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).