1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one

C18H16F3N3O3 — CID 42937086

IUPAC1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(=O)c1ccccc1OCCn1c(C(F)(F)F)nn2c(=O)cc(C)cc12
InChIInChI=1S/C18H16F3N3O3/c1-11-9-15-23(17(18(19,20)21)22-24(15)16(26)10-11)7-8-27-14-6-4-3-5-13(14)12(2)25/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVNYKMCYEAMZAOK-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.10
Rot. Bonds5

About 1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one

1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 42937086) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID42937086
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(=O)c1ccccc1OCCn1c(C(F)(F)F)nn2c(=O)cc(C)cc12
InChIInChI=1S/C18H16F3N3O3/c1-11-9-15-23(17(18(19,20)21)22-24(15)16(26)10-11)7-8-27-14-6-4-3-5-13(14)12(2)25/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVNYKMCYEAMZAOK-UHFFFAOYSA-N
XLogP3.10
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one with MolForge

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Related Compounds

4-methyl-1-(1-(4-oxo-4H-chromene-2-carbonyl)piperidin-4-yl)-3-(trifluoromethyl)-1H-1,2,4-triazol-5(4H)-one
CID 122161720
N-(2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)-4-oxo-4H-chromene-2-carboxamide
CID 90541527
3-[2-(2-Acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769372
2-[2-(2-Acetylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-one
CID 81948318
4-ethyl-1-(2-methoxyethyl)-3-(1-(4-oxo-4H-chromene-2-carbonyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 121115243
2-[2-(4-Propanoylphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 133967043

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 42937086) is 1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one is CC(=O)c1ccccc1OCCn1c(C(F)(F)F)nn2c(=O)cc(C)cc12.
What is the InChIKey of 1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is VNYKMCYEAMZAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-11-9-15-23(17(18(19,20)21)22-24(15)16(26)10-11)7-8-27-14-6-4-3-5-13(14)12(2)25/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one?
1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 379.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-acetylphenoxy)ethyl]-7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 42937086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).