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

C13H11F2N5O2 — CID 126648702

IUPAC7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2ccc(OC(F)F)cc2)c2n[nH]nc2n1
InChIInChI=1S/C13H11F2N5O2/c14-13(15)22-8-3-1-7(2-4-8)6-21-9-5-10(16)17-12-11(9)18-20-19-12/h1-5,13H,6H2,(H3,16,17,18,19,20)
InChIKeySXNQWEDVWDYLPZ-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.12
Rot. Bonds5

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

7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126648702) has the molecular formula C13H11F2N5O2 and a molecular weight of 307.26 g/mol. Its IUPAC name is 7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126648702
Molecular FormulaC13H11F2N5O2
Molecular Weight307.26 g/mol
Exact Mass307.09
IUPAC Name7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2ccc(OC(F)F)cc2)c2n[nH]nc2n1
InChIInChI=1S/C13H11F2N5O2/c14-13(15)22-8-3-1-7(2-4-8)6-21-9-5-10(16)17-12-11(9)18-20-19-12/h1-5,13H,6H2,(H3,16,17,18,19,20)
InChIKeySXNQWEDVWDYLPZ-UHFFFAOYSA-N
XLogP2.12
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950274
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-[[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

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126648702) is 7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2ccc(OC(F)F)cc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is SXNQWEDVWDYLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5O2/c14-13(15)22-8-3-1-7(2-4-8)6-21-9-5-10(16)17-12-11(9)18-20-19-12/h1-5,13H,6H2,(H3,16,17,18,19,20).
What are the key properties of 7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 307.26 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126648702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).