7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C16H17F2N5O2 — CID 126648773

IUPAC7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCCC(F)(F)C(Oc1cc(N)nc2n[nH]nc12)c1ccccc1OC
InChIInChI=1S/C16H17F2N5O2/c1-3-16(17,18)14(9-6-4-5-7-10(9)24-2)25-11-8-12(19)20-15-13(11)21-23-22-15/h4-8,14H,3H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyVXIZPVXIUITGTJ-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.11
Rot. Bonds6

About 7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126648773) has the molecular formula C16H17F2N5O2 and a molecular weight of 349.34 g/mol. Its IUPAC name is 7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126648773
Molecular FormulaC16H17F2N5O2
Molecular Weight349.34 g/mol
Exact Mass349.14
IUPAC Name7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCCC(F)(F)C(Oc1cc(N)nc2n[nH]nc12)c1ccccc1OC
InChIInChI=1S/C16H17F2N5O2/c1-3-16(17,18)14(9-6-4-5-7-10(9)24-2)25-11-8-12(19)20-15-13(11)21-23-22-15/h4-8,14H,3H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyVXIZPVXIUITGTJ-UHFFFAOYSA-N
XLogP3.11
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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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
3H-1,2,3-Triazolo[4,5-b]pyridin-5-amine, 7-methoxy-N-(4-piperidinylmethyl)-3-[3-(trifluoromethoxy)phenyl]-
CID 53372790
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

Frequently Asked Questions

What is the IUPAC name of 7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126648773) is 7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine is CCC(F)(F)C(Oc1cc(N)nc2n[nH]nc12)c1ccccc1OC.
What is the InChIKey of 7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is VXIZPVXIUITGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O2/c1-3-16(17,18)14(9-6-4-5-7-10(9)24-2)25-11-8-12(19)20-15-13(11)21-23-22-15/h4-8,14H,3H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 349.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126648773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).