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

C19H16FN5O — CID 126649069

IUPAC7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1c(COc2cc(N)nc3n[nH]nc23)cccc1-c1cccc(F)c1
InChIInChI=1S/C19H16FN5O/c1-11-13(5-3-7-15(11)12-4-2-6-14(20)8-12)10-26-16-9-17(21)22-19-18(16)23-25-24-19/h2-9H,10H2,1H3,(H3,21,22,23,24,25)
InChIKeyNVRQUFCFMLBATH-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.63
Rot. Bonds4

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

7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126649069) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126649069
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1c(COc2cc(N)nc3n[nH]nc23)cccc1-c1cccc(F)c1
InChIInChI=1S/C19H16FN5O/c1-11-13(5-3-7-15(11)12-4-2-6-14(20)8-12)10-26-16-9-17(21)22-19-18(16)23-25-24-19/h2-9H,10H2,1H3,(H3,21,22,23,24,25)
InChIKeyNVRQUFCFMLBATH-UHFFFAOYSA-N
XLogP3.63
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648929
7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
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)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678812
7-[[2-methyl-3-(1-methylpyrazol-3-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678836
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-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126649069) is 7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Cc1c(COc2cc(N)nc3n[nH]nc23)cccc1-c1cccc(F)c1.
What is the InChIKey of 7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is NVRQUFCFMLBATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-11-13(5-3-7-15(11)12-4-2-6-14(20)8-12)10-26-16-9-17(21)22-19-18(16)23-25-24-19/h2-9H,10H2,1H3,(H3,21,22,23,24,25).
What are the key properties of 7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 349.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126649069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).