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

C4H4N4O2 — CID 55286887

IUPAC1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESO=C1N=C2NC(=O)NC2N1
InChIInChI=1S/C4H4N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1H,(H3,5,6,7,8,9,10)
InChIKeyCAUVVFPBSUDVIT-UHFFFAOYSA-N
MW140.10 g/mol
LogP-1.25
Rot. Bonds

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

1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 55286887) has the molecular formula C4H4N4O2 and a molecular weight of 140.10 g/mol. Its IUPAC name is 1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID55286887
Molecular FormulaC4H4N4O2
Molecular Weight140.10 g/mol
Exact Mass140.03
IUPAC Name1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESO=C1N=C2NC(=O)NC2N1
InChIInChI=1S/C4H4N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1H,(H3,5,6,7,8,9,10)
InChIKeyCAUVVFPBSUDVIT-UHFFFAOYSA-N
XLogP-1.25
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (CID 55286887) is 1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is O=C1N=C2NC(=O)NC2N1.
What is the InChIKey of 1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is CAUVVFPBSUDVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1H,(H3,5,6,7,8,9,10).
What are the key properties of 1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 140.10 g/mol, XLogP of -1.25, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 55286887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).