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

C19H14F3N5O — CID 126648641

IUPAC7-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2ccc(-c3cccc(C(F)(F)F)c3)cc2)c2n[nH]nc2n1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)14-3-1-2-13(8-14)12-6-4-11(5-7-12)10-28-15-9-16(23)24-18-17(15)25-27-26-18/h1-9H,10H2,(H3,23,24,25,26,27)
InChIKeyLZCDKFNJEFIGOR-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.20
Rot. Bonds4

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

7-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126648641) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 7-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126648641
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name7-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2ccc(-c3cccc(C(F)(F)F)c3)cc2)c2n[nH]nc2n1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)14-3-1-2-13(8-14)12-6-4-11(5-7-12)10-28-15-9-16(23)24-18-17(15)25-27-26-18/h1-9H,10H2,(H3,23,24,25,26,27)
InChIKeyLZCDKFNJEFIGOR-UHFFFAOYSA-N
XLogP4.20
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-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
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-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648798
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-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126648641) is 7-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2ccc(-c3cccc(C(F)(F)F)c3)cc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is LZCDKFNJEFIGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c20-19(21,22)14-3-1-2-13(8-14)12-6-4-11(5-7-12)10-28-15-9-16(23)24-18-17(15)25-27-26-18/h1-9H,10H2,(H3,23,24,25,26,27).
What are the key properties of 7-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 385.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126648641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).