4,5-diazido-1,3-dimethylimidazolidin-2-one

C5H8N8O — CID 130004674

IUPAC4,5-diazido-1,3-dimethylimidazolidin-2-one
SMILESCN1C(=O)N(C)C(N=[N+]=[N-])C1N=[N+]=[N-]
InChIInChI=1S/C5H8N8O/c1-12-3(8-10-6)4(9-11-7)13(2)5(12)14/h3-4H,1-2H3
InChIKeyZMXXEIWINSKMFO-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.26
Rot. Bonds2

About 4,5-diazido-1,3-dimethylimidazolidin-2-one

4,5-diazido-1,3-dimethylimidazolidin-2-one (PubChem CID 130004674) has the molecular formula C5H8N8O and a molecular weight of 196.17 g/mol. Its IUPAC name is 4,5-diazido-1,3-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4,5-diazido-1,3-dimethylimidazolidin-2-one
PubChem CID130004674
Molecular FormulaC5H8N8O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name4,5-diazido-1,3-dimethylimidazolidin-2-one
SMILESCN1C(=O)N(C)C(N=[N+]=[N-])C1N=[N+]=[N-]
InChIInChI=1S/C5H8N8O/c1-12-3(8-10-6)4(9-11-7)13(2)5(12)14/h3-4H,1-2H3
InChIKeyZMXXEIWINSKMFO-UHFFFAOYSA-N
XLogP1.26
TPSA121.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-diazido-1,3-dimethylimidazolidin-2-one?
The IUPAC name of 4,5-diazido-1,3-dimethylimidazolidin-2-one (CID 130004674) is 4,5-diazido-1,3-dimethylimidazolidin-2-one.
What is the SMILES notation for 4,5-diazido-1,3-dimethylimidazolidin-2-one?
The canonical SMILES for 4,5-diazido-1,3-dimethylimidazolidin-2-one is CN1C(=O)N(C)C(N=[N+]=[N-])C1N=[N+]=[N-].
What is the InChIKey of 4,5-diazido-1,3-dimethylimidazolidin-2-one?
The InChIKey is ZMXXEIWINSKMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N8O/c1-12-3(8-10-6)4(9-11-7)13(2)5(12)14/h3-4H,1-2H3.
What are the key properties of 4,5-diazido-1,3-dimethylimidazolidin-2-one?
4,5-diazido-1,3-dimethylimidazolidin-2-one has a molecular weight of 196.17 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diazido-1,3-dimethylimidazolidin-2-one is sourced from PubChem (CID 130004674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).