3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid

C7H11N3O3 — CID 145294658

IUPAC3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid
SMILESO=C(O)C1NCCN2C(=O)NCC12
InChIInChI=1S/C7H11N3O3/c11-6(12)5-4-3-9-7(13)10(4)2-1-8-5/h4-5,8H,1-3H2,(H,9,13)(H,11,12)
InChIKeyLPOFDGLBDXPQDR-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.56
Rot. Bonds1

About 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid

3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid (PubChem CID 145294658) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid
PubChem CID145294658
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid
SMILESO=C(O)C1NCCN2C(=O)NCC12
InChIInChI=1S/C7H11N3O3/c11-6(12)5-4-3-9-7(13)10(4)2-1-8-5/h4-5,8H,1-3H2,(H,9,13)(H,11,12)
InChIKeyLPOFDGLBDXPQDR-UHFFFAOYSA-N
XLogP-1.56
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid with MolForge

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Related Compounds

(1S,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid
CID 11480691
2-(2-oxoimidazolidin-1-yl)cyclopentane-1-carboxylic acid
CID 64815504
2-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 64815698
(8S,8aR)-2-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazine-8-carboxylic acid
CID 170547593
3-piperidin-1-ylpiperidine-2-carboxylic acid
CID 83835245
(2R,3R)-piperazine-2,3-dicarboxylic acid
CID 29413693
(2S,3R)-3-piperidin-1-ylpyrrolidine-2-carboxylic acid
CID 118101021
(1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 124707464
piperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid
CID 161043307
carbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 161407839
1-(2,5-dimethylpiperidin-3-yl)imidazolidin-2-one
CID 164648351
3-pyrimidin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperazine-2-carboxylic acid
CID 67441085

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid?
The IUPAC name of 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid (CID 145294658) is 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid.
What is the SMILES notation for 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid?
The canonical SMILES for 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid is O=C(O)C1NCCN2C(=O)NCC12.
What is the InChIKey of 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid?
The InChIKey is LPOFDGLBDXPQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c11-6(12)5-4-3-9-7(13)10(4)2-1-8-5/h4-5,8H,1-3H2,(H,9,13)(H,11,12).
What are the key properties of 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid?
3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of -1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid is sourced from PubChem (CID 145294658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).