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

C10H13F3N4O2 — CID 141185797

IUPAC1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
SMILESCN(C)c1nc(C(F)(F)F)n2c1CN(C(=O)O)CC2
InChIInChI=1S/C10H13F3N4O2/c1-15(2)7-6-5-16(9(18)19)3-4-17(6)8(14-7)10(11,12)13/h3-5H2,1-2H3,(H,18,19)
InChIKeyAGNIMGWXJIMMAT-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.46
Rot. Bonds1

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

1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid (PubChem CID 141185797) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
PubChem CID141185797
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
SMILESCN(C)c1nc(C(F)(F)F)n2c1CN(C(=O)O)CC2
InChIInChI=1S/C10H13F3N4O2/c1-15(2)7-6-5-16(9(18)19)3-4-17(6)8(14-7)10(11,12)13/h3-5H2,1-2H3,(H,18,19)
InChIKeyAGNIMGWXJIMMAT-UHFFFAOYSA-N
XLogP1.46
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The IUPAC name of 1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid (CID 141185797) is 1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid is CN(C)c1nc(C(F)(F)F)n2c1CN(C(=O)O)CC2.
What is the InChIKey of 1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The InChIKey is AGNIMGWXJIMMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-15(2)7-6-5-16(9(18)19)3-4-17(6)8(14-7)10(11,12)13/h3-5H2,1-2H3,(H,18,19).
What are the key properties of 1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid has a molecular weight of 278.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 141185797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).