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

C8H14N4O2 — CID 789676

IUPAC3,4-diethyl-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)NC2NC(=O)N(CC)C21
InChIInChI=1S/C8H14N4O2/c1-3-11-6-5(9-7(11)13)10-8(14)12(6)4-2/h5-6H,3-4H2,1-2H3,(H,9,13)(H,10,14)
InChIKeyRNUMZCRALZZCGI-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.27
Rot. Bonds2

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

3,4-diethyl-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 789676) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3,4-diethyl-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3,4-diethyl-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID789676
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3,4-diethyl-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)NC2NC(=O)N(CC)C21
InChIInChI=1S/C8H14N4O2/c1-3-11-6-5(9-7(11)13)10-8(14)12(6)4-2/h5-6H,3-4H2,1-2H3,(H,9,13)(H,10,14)
InChIKeyRNUMZCRALZZCGI-UHFFFAOYSA-N
XLogP-0.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3,4-diethyl-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (CID 789676) is 3,4-diethyl-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3,4-diethyl-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3,4-diethyl-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is CCN1C(=O)NC2NC(=O)N(CC)C21.
What is the InChIKey of 3,4-diethyl-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is RNUMZCRALZZCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-11-6-5(9-7(11)13)10-8(14)12(6)4-2/h5-6H,3-4H2,1-2H3,(H,9,13)(H,10,14).
What are the key properties of 3,4-diethyl-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
3,4-diethyl-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 198.23 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 789676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).