3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

C8H10N4O4 — CID 3678898

IUPAC3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCC(=O)N1C(=O)NC2C1NC(=O)N2C(C)=O
InChIInChI=1S/C8H10N4O4/c1-3(13)11-5-6(10-7(11)15)12(4(2)14)8(16)9-5/h5-6H,1-2H3,(H,9,16)(H,10,15)
InChIKeyZUDDCMCOKPAHPV-UHFFFAOYSA-N
MW226.19 g/mol
LogP-1.22
Rot. Bonds

About 3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 3678898) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID3678898
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCC(=O)N1C(=O)NC2C1NC(=O)N2C(C)=O
InChIInChI=1S/C8H10N4O4/c1-3(13)11-5-6(10-7(11)15)12(4(2)14)8(16)9-5/h5-6H,1-2H3,(H,9,16)(H,10,15)
InChIKeyZUDDCMCOKPAHPV-UHFFFAOYSA-N
XLogP-1.22
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (CID 3678898) is 3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is CC(=O)N1C(=O)NC2C1NC(=O)N2C(C)=O.
What is the InChIKey of 3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is ZUDDCMCOKPAHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c1-3(13)11-5-6(10-7(11)15)12(4(2)14)8(16)9-5/h5-6H,1-2H3,(H,9,16)(H,10,15).
What are the key properties of 3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 226.19 g/mol, XLogP of -1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 3678898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).