3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

C10H18N4O2 — CID 574544

IUPAC3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(CC)C2C1NC(=O)N2CC
InChIInChI=1S/C10H18N4O2/c1-4-12-7-8(14(6-3)10(12)16)13(5-2)9(15)11-7/h7-8H,4-6H2,1-3H3,(H,11,15)
InChIKeyGSPHWCCQMDZLPX-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.46
Rot. Bonds3

About 3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (PubChem CID 574544) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
PubChem CID574544
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(CC)C2C1NC(=O)N2CC
InChIInChI=1S/C10H18N4O2/c1-4-12-7-8(14(6-3)10(12)16)13(5-2)9(15)11-7/h7-8H,4-6H2,1-3H3,(H,11,15)
InChIKeyGSPHWCCQMDZLPX-UHFFFAOYSA-N
XLogP0.46
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (CID 574544) is 3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is CCN1C(=O)N(CC)C2C1NC(=O)N2CC.
What is the InChIKey of 3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is GSPHWCCQMDZLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-12-7-8(14(6-3)10(12)16)13(5-2)9(15)11-7/h7-8H,4-6H2,1-3H3,(H,11,15).
What are the key properties of 3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 226.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 574544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).