2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide

C13H10F3N5O3 — CID 135635986

IUPAC2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CC1C(=O)Nc2ncnn21)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H10F3N5O3/c14-13(15,16)24-8-3-1-2-7(4-8)19-10(22)5-9-11(23)20-12-17-6-18-21(9)12/h1-4,6,9H,5H2,(H,19,22)(H,17,18,20,23)
InChIKeyJNEZJBMTZITZFM-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.70
Rot. Bonds4

About 2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide

2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 135635986) has the molecular formula C13H10F3N5O3 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID135635986
Molecular FormulaC13H10F3N5O3
Molecular Weight341.25 g/mol
Exact Mass341.07
IUPAC Name2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CC1C(=O)Nc2ncnn21)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H10F3N5O3/c14-13(15,16)24-8-3-1-2-7(4-8)19-10(22)5-9-11(23)20-12-17-6-18-21(9)12/h1-4,6,9H,5H2,(H,19,22)(H,17,18,20,23)
InChIKeyJNEZJBMTZITZFM-UHFFFAOYSA-N
XLogP1.70
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide (CID 135635986) is 2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide is O=C(CC1C(=O)Nc2ncnn21)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is JNEZJBMTZITZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O3/c14-13(15,16)24-8-3-1-2-7(4-8)19-10(22)5-9-11(23)20-12-17-6-18-21(9)12/h1-4,6,9H,5H2,(H,19,22)(H,17,18,20,23).
What are the key properties of 2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 341.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 135635986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).