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

C13H11ClF3N5O — CID 126679930

IUPAC7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cc(C(F)(F)F)ccc2Cl)c2c(n1)NNN2
InChIInChI=1S/C13H11ClF3N5O/c14-8-2-1-7(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)
InChIKeyDINZOKSHYHUPGA-UHFFFAOYSA-N
MW345.71 g/mol
LogP3.17
Rot. Bonds3

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

7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126679930) has the molecular formula C13H11ClF3N5O and a molecular weight of 345.71 g/mol. Its IUPAC name is 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126679930
Molecular FormulaC13H11ClF3N5O
Molecular Weight345.71 g/mol
Exact Mass345.06
IUPAC Name7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cc(C(F)(F)F)ccc2Cl)c2c(n1)NNN2
InChIInChI=1S/C13H11ClF3N5O/c14-8-2-1-7(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)
InChIKeyDINZOKSHYHUPGA-UHFFFAOYSA-N
XLogP3.17
TPSA84.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126680564
2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 91755508
3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 66832871
7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678876
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine
CID 148766758
2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
CID 170150920
5-chloro-6-[(2,4-dichlorophenoxy)methyl]pyridin-2-amine
CID 62887044
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 116519388
potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide
CID 171374127
3-[2-chloro-4-(trifluoromethyl)phenoxy]propan-1-amine
CID 83409127
CID 87363082
CID 87363082

Frequently Asked Questions

What is the IUPAC name of 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (CID 126679930) is 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cc(C(F)(F)F)ccc2Cl)c2c(n1)NNN2.
What is the InChIKey of 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is DINZOKSHYHUPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N5O/c14-8-2-1-7(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-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 345.71 g/mol, XLogP of 3.17, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126679930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).