(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate

C11H16N4O5 — CID 118525626

IUPAC(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate
SMILESO=C(ON1C(=O)C2CNCCN2C1=O)N1CCOCC1
InChIInChI=1S/C11H16N4O5/c16-9-8-7-12-1-2-14(8)10(17)15(9)20-11(18)13-3-5-19-6-4-13/h8,12H,1-7H2
InChIKeyRGZMBJREGRYGHV-UHFFFAOYSA-N
MW284.27 g/mol
LogP-1.39
Rot. Bonds1

About (1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate

(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate (PubChem CID 118525626) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is (1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate
PubChem CID118525626
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate
SMILESO=C(ON1C(=O)C2CNCCN2C1=O)N1CCOCC1
InChIInChI=1S/C11H16N4O5/c16-9-8-7-12-1-2-14(8)10(17)15(9)20-11(18)13-3-5-19-6-4-13/h8,12H,1-7H2
InChIKeyRGZMBJREGRYGHV-UHFFFAOYSA-N
XLogP-1.39
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate?
The IUPAC name of (1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate (CID 118525626) is (1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate.
What is the SMILES notation for (1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate?
The canonical SMILES for (1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate is O=C(ON1C(=O)C2CNCCN2C1=O)N1CCOCC1.
What is the InChIKey of (1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate?
The InChIKey is RGZMBJREGRYGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c16-9-8-7-12-1-2-14(8)10(17)15(9)20-11(18)13-3-5-19-6-4-13/h8,12H,1-7H2.
What are the key properties of (1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate?
(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate has a molecular weight of 284.27 g/mol, XLogP of -1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate is sourced from PubChem (CID 118525626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).