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

C8H8F3N3O2 — CID 151869639

IUPAC1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1CCn2cnc(C(F)(F)F)c2C1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)6-5-3-13(7(15)16)1-2-14(5)4-12-6/h4H,1-3H2,(H,15,16)
InChIKeySMKIJKKLVBEACY-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.40
Rot. Bonds

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

1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid (PubChem CID 151869639) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
PubChem CID151869639
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1CCn2cnc(C(F)(F)F)c2C1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)6-5-3-13(7(15)16)1-2-14(5)4-12-6/h4H,1-3H2,(H,15,16)
InChIKeySMKIJKKLVBEACY-UHFFFAOYSA-N
XLogP1.40
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The IUPAC name of 1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid (CID 151869639) is 1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid is O=C(O)N1CCn2cnc(C(F)(F)F)c2C1.
What is the InChIKey of 1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The InChIKey is SMKIJKKLVBEACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)6-5-3-13(7(15)16)1-2-14(5)4-12-6/h4H,1-3H2,(H,15,16).
What are the key properties of 1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 151869639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).