4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione

C6H10N4O3 — CID 18934259

IUPAC4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCC(O)N1C(=O)NC2NC(=O)NC21
InChIInChI=1S/C6H10N4O3/c1-2(11)10-4-3(8-6(10)13)7-5(12)9-4/h2-4,11H,1H3,(H,8,13)(H2,7,9,12)
InChIKeyBMURAZLURSIKOY-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.69
Rot. Bonds1

About 4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione

4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione (PubChem CID 18934259) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
PubChem CID18934259
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCC(O)N1C(=O)NC2NC(=O)NC21
InChIInChI=1S/C6H10N4O3/c1-2(11)10-4-3(8-6(10)13)7-5(12)9-4/h2-4,11H,1H3,(H,8,13)(H2,7,9,12)
InChIKeyBMURAZLURSIKOY-UHFFFAOYSA-N
XLogP-1.69
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione (CID 18934259) is 4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione is CC(O)N1C(=O)NC2NC(=O)NC21.
What is the InChIKey of 4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is BMURAZLURSIKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-2(11)10-4-3(8-6(10)13)7-5(12)9-4/h2-4,11H,1H3,(H,8,13)(H2,7,9,12).
What are the key properties of 4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 186.17 g/mol, XLogP of -1.69, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 18934259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).