8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one

C9H10F3N3O — CID 96598300

IUPAC8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCN1CCn2c1c(N)c(C(F)(F)F)cc2=O
InChIInChI=1S/C9H10F3N3O/c1-14-2-3-15-6(16)4-5(9(10,11)12)7(13)8(14)15/h4H,2-3,13H2,1H3
InChIKeyXCVAASRQIYAYTM-UHFFFAOYSA-N
MW233.19 g/mol
LogP0.90
Rot. Bonds

About 8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one

8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one (PubChem CID 96598300) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
PubChem CID96598300
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCN1CCn2c1c(N)c(C(F)(F)F)cc2=O
InChIInChI=1S/C9H10F3N3O/c1-14-2-3-15-6(16)4-5(9(10,11)12)7(13)8(14)15/h4H,2-3,13H2,1H3
InChIKeyXCVAASRQIYAYTM-UHFFFAOYSA-N
XLogP0.90
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one (CID 96598300) is 8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one is CN1CCn2c1c(N)c(C(F)(F)F)cc2=O.
What is the InChIKey of 8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The InChIKey is XCVAASRQIYAYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-14-2-3-15-6(16)4-5(9(10,11)12)7(13)8(14)15/h4H,2-3,13H2,1H3.
What are the key properties of 8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one has a molecular weight of 233.19 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 96598300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).