6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

C14H10F3N5O3 — CID 177252850

IUPAC6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESNC(=O)c1nc2ccc(Oc3ncccc3OCC(F)(F)F)cn2n1
InChIInChI=1S/C14H10F3N5O3/c15-14(16,17)7-24-9-2-1-5-19-13(9)25-8-3-4-10-20-12(11(18)23)21-22(10)6-8/h1-6H,7H2,(H2,18,23)
InChIKeyIXPNYBAOICQZCJ-UHFFFAOYSA-N
MW353.26 g/mol
LogP1.96
Rot. Bonds5

About 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 177252850) has the molecular formula C14H10F3N5O3 and a molecular weight of 353.26 g/mol. Its IUPAC name is 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
PubChem CID177252850
Molecular FormulaC14H10F3N5O3
Molecular Weight353.26 g/mol
Exact Mass353.07
IUPAC Name6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESNC(=O)c1nc2ccc(Oc3ncccc3OCC(F)(F)F)cn2n1
InChIInChI=1S/C14H10F3N5O3/c15-14(16,17)7-24-9-2-1-5-19-13(9)25-8-3-4-10-20-12(11(18)23)21-22(10)6-8/h1-6H,7H2,(H2,18,23)
InChIKeyIXPNYBAOICQZCJ-UHFFFAOYSA-N
XLogP1.96
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (CID 177252850) is 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is NC(=O)c1nc2ccc(Oc3ncccc3OCC(F)(F)F)cn2n1.
What is the InChIKey of 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is IXPNYBAOICQZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O3/c15-14(16,17)7-24-9-2-1-5-19-13(9)25-8-3-4-10-20-12(11(18)23)21-22(10)6-8/h1-6H,7H2,(H2,18,23).
What are the key properties of 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 353.26 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 177252850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).