5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione

C6H8N4O3 — CID 73334136

IUPAC5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione
SMILESCN/N=C/C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H8N4O3/c1-7-8-2-3-4(11)9-6(13)10-5(3)12/h2-3,7H,1H3,(H2,9,10,11,12,13)/b8-2+
InChIKeyLAJOREBCBSRXSL-KRXBUXKQSA-N
MW184.16 g/mol
LogP-1.83
Rot. Bonds2

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

5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 73334136) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is 5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID73334136
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione
SMILESCN/N=C/C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H8N4O3/c1-7-8-2-3-4(11)9-6(13)10-5(3)12/h2-3,7H,1H3,(H2,9,10,11,12,13)/b8-2+
InChIKeyLAJOREBCBSRXSL-KRXBUXKQSA-N
XLogP-1.83
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione (CID 73334136) is 5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione is CN/N=C/C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is LAJOREBCBSRXSL-KRXBUXKQSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-7-8-2-3-4(11)9-6(13)10-5(3)12/h2-3,7H,1H3,(H2,9,10,11,12,13)/b8-2+.
What are the key properties of 5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione?
5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 184.16 g/mol, XLogP of -1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 73334136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).