3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid

C9H8F3N3O4 — CID 91231763

IUPAC3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)n2c1CN(C(=O)O)CC2
InChIInChI=1S/C9H8F3N3O4/c10-9(11,12)7-13-5(6(16)17)4-3-14(8(18)19)1-2-15(4)7/h1-3H2,(H,16,17)(H,18,19)
InChIKeyZIBZGIMDBZIZCI-UHFFFAOYSA-N
MW279.17 g/mol
LogP1.09
Rot. Bonds1

About 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid

3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid (PubChem CID 91231763) has the molecular formula C9H8F3N3O4 and a molecular weight of 279.17 g/mol. Its IUPAC name is 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid.

Molecular Properties

Compound Name3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid
PubChem CID91231763
Molecular FormulaC9H8F3N3O4
Molecular Weight279.17 g/mol
Exact Mass279.05
IUPAC Name3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)n2c1CN(C(=O)O)CC2
InChIInChI=1S/C9H8F3N3O4/c10-9(11,12)7-13-5(6(16)17)4-3-14(8(18)19)1-2-15(4)7/h1-3H2,(H,16,17)(H,18,19)
InChIKeyZIBZGIMDBZIZCI-UHFFFAOYSA-N
XLogP1.09
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 141185797
7-(3-formamidobutanoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
CID 143827436
3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83865393
1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 174593418
7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methanamine
CID 46912675
7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;N,N-dimethylmethanamine
CID 46912677
1-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-chloroethanone
CID 154879593
(2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 141276416
7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;pentanoic acid
CID 46913544
1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 151869639
[(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid
CID 142705992
3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 74947083

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid?
The IUPAC name of 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid (CID 91231763) is 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid.
What is the SMILES notation for 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid?
The canonical SMILES for 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid is O=C(O)c1nc(C(F)(F)F)n2c1CN(C(=O)O)CC2.
What is the InChIKey of 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid?
The InChIKey is ZIBZGIMDBZIZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O4/c10-9(11,12)7-13-5(6(16)17)4-3-14(8(18)19)1-2-15(4)7/h1-3H2,(H,16,17)(H,18,19).
What are the key properties of 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid?
3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid has a molecular weight of 279.17 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid is sourced from PubChem (CID 91231763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).