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

C14H12F3N5O3 — CID 126648720

IUPAC7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1ccc(OC(F)(F)F)cc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C14H12F3N5O3/c1-23-9-3-2-8(25-14(15,16)17)4-7(9)6-24-10-5-11(18)19-13-12(10)20-22-21-13/h2-5H,6H2,1H3,(H3,18,19,20,21,22)
InChIKeyITMCQHVXAHPNPQ-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.42
Rot. Bonds5

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

7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126648720) has the molecular formula C14H12F3N5O3 and a molecular weight of 355.28 g/mol. Its IUPAC name is 7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126648720
Molecular FormulaC14H12F3N5O3
Molecular Weight355.28 g/mol
Exact Mass355.09
IUPAC Name7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1ccc(OC(F)(F)F)cc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C14H12F3N5O3/c1-23-9-3-2-8(25-14(15,16)17)4-7(9)6-24-10-5-11(18)19-13-12(10)20-22-21-13/h2-5H,6H2,1H3,(H3,18,19,20,21,22)
InChIKeyITMCQHVXAHPNPQ-UHFFFAOYSA-N
XLogP2.42
TPSA108.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(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
7-[(3-methoxyphenyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine
CID 145984365
7-[[3-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine
CID 145987843
US10214527, Example 29
CID 126678964

Frequently Asked Questions

What is the IUPAC name of 7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126648720) is 7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is COc1ccc(OC(F)(F)F)cc1COc1cc(N)nc2n[nH]nc12.
What is the InChIKey of 7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is ITMCQHVXAHPNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O3/c1-23-9-3-2-8(25-14(15,16)17)4-7(9)6-24-10-5-11(18)19-13-12(10)20-22-21-13/h2-5H,6H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 355.28 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126648720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).