5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C7H10N4O3 — CID 73334133

IUPAC5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C=N/N)C(=O)N(C)C1=O
InChIInChI=1S/C7H10N4O3/c1-10-5(12)4(3-9-8)6(13)11(2)7(10)14/h3-4H,8H2,1-2H3/b9-3+
InChIKeyIUAYCLSCCVTGDY-YCRREMRBSA-N
MW198.18 g/mol
LogP-1.40
Rot. Bonds1

About 5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 73334133) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID73334133
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C=N/N)C(=O)N(C)C1=O
InChIInChI=1S/C7H10N4O3/c1-10-5(12)4(3-9-8)6(13)11(2)7(10)14/h3-4H,8H2,1-2H3/b9-3+
InChIKeyIUAYCLSCCVTGDY-YCRREMRBSA-N
XLogP-1.40
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 73334133) is 5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(/C=N/N)C(=O)N(C)C1=O.
What is the InChIKey of 5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is IUAYCLSCCVTGDY-YCRREMRBSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-10-5(12)4(3-9-8)6(13)11(2)7(10)14/h3-4H,8H2,1-2H3/b9-3+.
What are the key properties of 5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 198.18 g/mol, XLogP of -1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 73334133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).