5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid

C12H19N3O4 — CID 79092337

IUPAC5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CN2CCN3C(=O)NCC3C2)O1
InChIInChI=1S/C12H19N3O4/c16-11(17)10-2-1-9(19-10)7-14-3-4-15-8(6-14)5-13-12(15)18/h8-10H,1-7H2,(H,13,18)(H,16,17)
InChIKeyHXGLRFAAMFJTGW-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.67
Rot. Bonds3

About 5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid

5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid (PubChem CID 79092337) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid
PubChem CID79092337
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CN2CCN3C(=O)NCC3C2)O1
InChIInChI=1S/C12H19N3O4/c16-11(17)10-2-1-9(19-10)7-14-3-4-15-8(6-14)5-13-12(15)18/h8-10H,1-7H2,(H,13,18)(H,16,17)
InChIKeyHXGLRFAAMFJTGW-UHFFFAOYSA-N
XLogP-0.67
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid (CID 79092337) is 5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(CN2CCN3C(=O)NCC3C2)O1.
What is the InChIKey of 5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid?
The InChIKey is HXGLRFAAMFJTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-11(17)10-2-1-9(19-10)7-14-3-4-15-8(6-14)5-13-12(15)18/h8-10H,1-7H2,(H,13,18)(H,16,17).
What are the key properties of 5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid?
5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 79092337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).