6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

C9H8F3N3O2 — CID 134381779

IUPAC6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C(F)(F)F)NC(=O)c2ccc(N)c(=O)n21
InChIInChI=1S/C9H8F3N3O2/c1-8(9(10,11)12)14-6(16)5-3-2-4(13)7(17)15(5)8/h2-3H,13H2,1H3,(H,14,16)
InChIKeyRJNWYQOMOMLKRY-UHFFFAOYSA-N
MW247.18 g/mol
LogP0.41
Rot. Bonds

About 6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 134381779) has the molecular formula C9H8F3N3O2 and a molecular weight of 247.18 g/mol. Its IUPAC name is 6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID134381779
Molecular FormulaC9H8F3N3O2
Molecular Weight247.18 g/mol
Exact Mass247.06
IUPAC Name6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C(F)(F)F)NC(=O)c2ccc(N)c(=O)n21
InChIInChI=1S/C9H8F3N3O2/c1-8(9(10,11)12)14-6(16)5-3-2-4(13)7(17)15(5)8/h2-3H,13H2,1H3,(H,14,16)
InChIKeyRJNWYQOMOMLKRY-UHFFFAOYSA-N
XLogP0.41
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 134381779) is 6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(C(F)(F)F)NC(=O)c2ccc(N)c(=O)n21.
What is the InChIKey of 6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is RJNWYQOMOMLKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2/c1-8(9(10,11)12)14-6(16)5-3-2-4(13)7(17)15(5)8/h2-3H,13H2,1H3,(H,14,16).
What are the key properties of 6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 247.18 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 134381779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).