N-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C17H15F3N4O3 — CID 134791870

IUPACN-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2nnc(-c3cccc(OC(F)(F)F)c3)n2c1
InChIInChI=1S/C17H15F3N4O3/c1-26-8-7-21-16(25)12-5-6-14-22-23-15(24(14)10-12)11-3-2-4-13(9-11)27-17(18,19)20/h2-6,9-10H,7-8H2,1H3,(H,21,25)
InChIKeyGUQYYSGWHCGVQI-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.67
Rot. Bonds6

About N-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134791870) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134791870
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC NameN-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2nnc(-c3cccc(OC(F)(F)F)c3)n2c1
InChIInChI=1S/C17H15F3N4O3/c1-26-8-7-21-16(25)12-5-6-14-22-23-15(24(14)10-12)11-3-2-4-13(9-11)27-17(18,19)20/h2-6,9-10H,7-8H2,1H3,(H,21,25)
InChIKeyGUQYYSGWHCGVQI-UHFFFAOYSA-N
XLogP2.67
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134791870) is N-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COCCNC(=O)c1ccc2nnc(-c3cccc(OC(F)(F)F)c3)n2c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is GUQYYSGWHCGVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c1-26-8-7-21-16(25)12-5-6-14-22-23-15(24(14)10-12)11-3-2-4-13(9-11)27-17(18,19)20/h2-6,9-10H,7-8H2,1H3,(H,21,25).
What are the key properties of N-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 380.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134791870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).