7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

C13H11F4N5O2 — CID 126680564

IUPAC7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cc(OC(F)(F)F)ccc2F)c2c(n1)NNN2
InChIInChI=1S/C13H11F4N5O2/c14-8-2-1-7(24-13(15,16)17)3-6(8)5-23-9-4-10(18)19-12-11(9)20-22-21-12/h1-4,20,22H,5H2,(H3,18,19,21)
InChIKeyLBDOVWOGCVVKNX-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.54
Rot. Bonds4

About 7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126680564) has the molecular formula C13H11F4N5O2 and a molecular weight of 345.26 g/mol. Its IUPAC name is 7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126680564
Molecular FormulaC13H11F4N5O2
Molecular Weight345.26 g/mol
Exact Mass345.08
IUPAC Name7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cc(OC(F)(F)F)ccc2F)c2c(n1)NNN2
InChIInChI=1S/C13H11F4N5O2/c14-8-2-1-7(24-13(15,16)17)3-6(8)5-23-9-4-10(18)19-12-11(9)20-22-21-12/h1-4,20,22H,5H2,(H3,18,19,21)
InChIKeyLBDOVWOGCVVKNX-UHFFFAOYSA-N
XLogP2.54
TPSA93.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126679930
2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 83410120
1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene
CID 130935910
7-[[4-(3-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126679960
7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678876
7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678914
2-(3-aminopropyl)-4-(trifluoromethoxy)aniline
CID 170867746
ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
CID 170909645
1-(3-chloropropyl)-2-fluoro-4-(trifluoromethoxy)benzene
CID 118813230
4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126680585
[3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorophenyl]-pyrrolidin-1-ylmethanone
CID 126678868
2-(bromomethyl)-4-(trifluoromethoxy)aniline
CID 119013247

Frequently Asked Questions

What is the IUPAC name of 7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (CID 126680564) is 7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cc(OC(F)(F)F)ccc2F)c2c(n1)NNN2.
What is the InChIKey of 7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is LBDOVWOGCVVKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N5O2/c14-8-2-1-7(24-13(15,16)17)3-6(8)5-23-9-4-10(18)19-12-11(9)20-22-21-12/h1-4,20,22H,5H2,(H3,18,19,21).
What are the key properties of 7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 345.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126680564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).