3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid

C12H10N4O3 — CID 175591331

IUPAC3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid
SMILESN#Cc1ccc(-c2cnc3n2CCN(C(=O)O)C3)o1
InChIInChI=1S/C12H10N4O3/c13-5-8-1-2-10(19-8)9-6-14-11-7-15(12(17)18)3-4-16(9)11/h1-2,6H,3-4,7H2,(H,17,18)
InChIKeyPQLFPSITRASWLK-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.51
Rot. Bonds1

About 3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid

3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 175591331) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid
PubChem CID175591331
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid
SMILESN#Cc1ccc(-c2cnc3n2CCN(C(=O)O)C3)o1
InChIInChI=1S/C12H10N4O3/c13-5-8-1-2-10(19-8)9-6-14-11-7-15(12(17)18)3-4-16(9)11/h1-2,6H,3-4,7H2,(H,17,18)
InChIKeyPQLFPSITRASWLK-UHFFFAOYSA-N
XLogP1.51
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of 3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid (CID 175591331) is 3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid is N#Cc1ccc(-c2cnc3n2CCN(C(=O)O)C3)o1.
What is the InChIKey of 3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is PQLFPSITRASWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c13-5-8-1-2-10(19-8)9-6-14-11-7-15(12(17)18)3-4-16(9)11/h1-2,6H,3-4,7H2,(H,17,18).
What are the key properties of 3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid?
3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 258.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyanofuran-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 175591331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).