2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

C17H15F3N4O3 — CID 18126361

IUPAC2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c1
InChIInChI=1S/C17H15F3N4O3/c1-26-11-4-5-13(27-2)12(7-11)16(25)21-8-15-23-22-14-6-3-10(9-24(14)15)17(18,19)20/h3-7,9H,8H2,1-2H3,(H,21,25)
InChIKeyIWHFHHRVTGXEMG-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.70
Rot. Bonds5

About 2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (PubChem CID 18126361) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID18126361
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC Name2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c1
InChIInChI=1S/C17H15F3N4O3/c1-26-11-4-5-13(27-2)12(7-11)16(25)21-8-15-23-22-14-6-3-10(9-24(14)15)17(18,19)20/h3-7,9H,8H2,1-2H3,(H,21,25)
InChIKeyIWHFHHRVTGXEMG-UHFFFAOYSA-N
XLogP2.70
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (CID 18126361) is 2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is COc1ccc(OC)c(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c1.
What is the InChIKey of 2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The InChIKey is IWHFHHRVTGXEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c1-26-11-4-5-13(27-2)12(7-11)16(25)21-8-15-23-22-14-6-3-10(9-24(14)15)17(18,19)20/h3-7,9H,8H2,1-2H3,(H,21,25).
What are the key properties of 2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide has a molecular weight of 380.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 18126361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).