7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C16H13F3N8O — CID 118949422

IUPAC7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2nn(Cc3ccccc3)nc2C(F)(F)F)c2n[nH]nc2n1
InChIInChI=1S/C16H13F3N8O/c17-16(18,19)14-10(24-27(25-14)7-9-4-2-1-3-5-9)8-28-11-6-12(20)21-15-13(11)22-26-23-15/h1-6H,7-8H2,(H3,20,21,22,23,26)
InChIKeyFPHIQVPLIQPBMH-UHFFFAOYSA-N
MW390.33 g/mol
LogP2.17
Rot. Bonds5

About 7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118949422) has the molecular formula C16H13F3N8O and a molecular weight of 390.33 g/mol. Its IUPAC name is 7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118949422
Molecular FormulaC16H13F3N8O
Molecular Weight390.33 g/mol
Exact Mass390.12
IUPAC Name7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2nn(Cc3ccccc3)nc2C(F)(F)F)c2n[nH]nc2n1
InChIInChI=1S/C16H13F3N8O/c17-16(18,19)14-10(24-27(25-14)7-9-4-2-1-3-5-9)8-28-11-6-12(20)21-15-13(11)22-26-23-15/h1-6H,7-8H2,(H3,20,21,22,23,26)
InChIKeyFPHIQVPLIQPBMH-UHFFFAOYSA-N
XLogP2.17
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

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-[(1-phenyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949632
7-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950056
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-[(2-pyrazol-1-ylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649120
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

Frequently Asked Questions

What is the IUPAC name of 7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118949422) is 7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2nn(Cc3ccccc3)nc2C(F)(F)F)c2n[nH]nc2n1.
What is the InChIKey of 7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is FPHIQVPLIQPBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N8O/c17-16(18,19)14-10(24-27(25-14)7-9-4-2-1-3-5-9)8-28-11-6-12(20)21-15-13(11)22-26-23-15/h1-6H,7-8H2,(H3,20,21,22,23,26).
What are the key properties of 7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 390.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118949422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).