2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione

C10H13N3O4 — CID 107439519

IUPAC2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione
SMILESO=C1CN2C(=O)N(C3CCOC3)C(=O)C2CN1
InChIInChI=1S/C10H13N3O4/c14-8-4-12-7(3-11-8)9(15)13(10(12)16)6-1-2-17-5-6/h6-7H,1-5H2,(H,11,14)
InChIKeyGJZYCKKKQCNZPD-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.46
Rot. Bonds1

About 2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione

2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione (PubChem CID 107439519) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione.

Molecular Properties

Compound Name2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione
PubChem CID107439519
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione
SMILESO=C1CN2C(=O)N(C3CCOC3)C(=O)C2CN1
InChIInChI=1S/C10H13N3O4/c14-8-4-12-7(3-11-8)9(15)13(10(12)16)6-1-2-17-5-6/h6-7H,1-5H2,(H,11,14)
InChIKeyGJZYCKKKQCNZPD-UHFFFAOYSA-N
XLogP-1.46
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(oxolan-3-yl)piperazine-2,5-dione
CID 64873450
1-(oxan-3-yl)piperazine-2,5-dione
CID 64955997
2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione
CID 107439509
3-(oxolan-3-yl)-1,3-diazepane-2,4-dione
CID 80541121
(5S)-5-methyl-4-(oxetan-3-yl)piperazin-2-one
CID 171824613
5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione
CID 115431325
6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione
CID 103160223
3-[(3R)-oxolan-3-yl]-1,3-thiazolidine-2,4-dione
CID 87277977
4-(oxolan-3-yl)-2,4-diazaspiro[5.6]dodecane-3,5-dione
CID 115444841
2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione
CID 164590118
8-(oxolan-3-yl)-6,8-diazaspiro[3.6]decane-7,9-dione
CID 81167346
1-(oxan-3-yl)-3-propylpiperazine-2,5-dione
CID 64971351

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione?
The IUPAC name of 2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione (CID 107439519) is 2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione.
What is the SMILES notation for 2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione?
The canonical SMILES for 2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione is O=C1CN2C(=O)N(C3CCOC3)C(=O)C2CN1.
What is the InChIKey of 2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione?
The InChIKey is GJZYCKKKQCNZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-8-4-12-7(3-11-8)9(15)13(10(12)16)6-1-2-17-5-6/h6-7H,1-5H2,(H,11,14).
What are the key properties of 2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione?
2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione has a molecular weight of 239.23 g/mol, XLogP of -1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione is sourced from PubChem (CID 107439519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).