6-diazo-1,3-diazinane-2,4-dione

C4H4N4O2 — CID 151657284

IUPAC6-diazo-1,3-diazinane-2,4-dione
SMILES[N-]=[N+]=C1CC(=O)NC(=O)N1
InChIInChI=1S/C4H4N4O2/c5-8-2-1-3(9)7-4(10)6-2/h1H2,(H2,6,7,9,10)
InChIKeyQVTVPPKYAAXTFL-UHFFFAOYSA-N
MW140.10 g/mol
LogP-1.16
Rot. Bonds

About 6-diazo-1,3-diazinane-2,4-dione

6-diazo-1,3-diazinane-2,4-dione (PubChem CID 151657284) has the molecular formula C4H4N4O2 and a molecular weight of 140.10 g/mol. Its IUPAC name is 6-diazo-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-diazo-1,3-diazinane-2,4-dione
PubChem CID151657284
Molecular FormulaC4H4N4O2
Molecular Weight140.10 g/mol
Exact Mass140.03
IUPAC Name6-diazo-1,3-diazinane-2,4-dione
SMILES[N-]=[N+]=C1CC(=O)NC(=O)N1
InChIInChI=1S/C4H4N4O2/c5-8-2-1-3(9)7-4(10)6-2/h1H2,(H2,6,7,9,10)
InChIKeyQVTVPPKYAAXTFL-UHFFFAOYSA-N
XLogP-1.16
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-diazo-1,3-diazinane-2,4-dione?
The IUPAC name of 6-diazo-1,3-diazinane-2,4-dione (CID 151657284) is 6-diazo-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-diazo-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-diazo-1,3-diazinane-2,4-dione is [N-]=[N+]=C1CC(=O)NC(=O)N1.
What is the InChIKey of 6-diazo-1,3-diazinane-2,4-dione?
The InChIKey is QVTVPPKYAAXTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O2/c5-8-2-1-3(9)7-4(10)6-2/h1H2,(H2,6,7,9,10).
What are the key properties of 6-diazo-1,3-diazinane-2,4-dione?
6-diazo-1,3-diazinane-2,4-dione has a molecular weight of 140.10 g/mol, XLogP of -1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-1,3-diazinane-2,4-dione is sourced from PubChem (CID 151657284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).