2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione

C10H15N3O3 — CID 107439509

IUPAC2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione
SMILESCCCCN1C(=O)C2CNC(=O)CN2C1=O
InChIInChI=1S/C10H15N3O3/c1-2-3-4-12-9(15)7-5-11-8(14)6-13(7)10(12)16/h7H,2-6H2,1H3,(H,11,14)
InChIKeyNHEPNKHNMJUCHH-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.45
Rot. Bonds3

About 2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione

2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione (PubChem CID 107439509) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione.

Molecular Properties

Compound Name2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione
PubChem CID107439509
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione
SMILESCCCCN1C(=O)C2CNC(=O)CN2C1=O
InChIInChI=1S/C10H15N3O3/c1-2-3-4-12-9(15)7-5-11-8(14)6-13(7)10(12)16/h7H,2-6H2,1H3,(H,11,14)
InChIKeyNHEPNKHNMJUCHH-UHFFFAOYSA-N
XLogP-0.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione
CID 107439519
1-butyl-3-propylpiperazine-2,5-dione
CID 64879982
azane;1-butylpiperazine-2,5-dione
CID 174744496
1-octyl-5-oxopiperazine-2-carboxylic acid
CID 107439699
2-propyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
CID 82906267
(3aR,6aS)-5-butyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
CID 46201487
(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
3-butyl-1-methyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione
CID 66264963
1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione
CID 141094094
4-butyl-1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 102460810
2-(3-bromopropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10801355

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione?
The IUPAC name of 2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione (CID 107439509) is 2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione.
What is the SMILES notation for 2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione?
The canonical SMILES for 2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione is CCCCN1C(=O)C2CNC(=O)CN2C1=O.
What is the InChIKey of 2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione?
The InChIKey is NHEPNKHNMJUCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-3-4-12-9(15)7-5-11-8(14)6-13(7)10(12)16/h7H,2-6H2,1H3,(H,11,14).
What are the key properties of 2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione?
2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione has a molecular weight of 225.25 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione is sourced from PubChem (CID 107439509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).