5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione

C7H10N4O3 — CID 73334137

IUPAC5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESCN/N=C(\C)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C7H10N4O3/c1-3(11-8-2)4-5(12)9-7(14)10-6(4)13/h4,8H,1-2H3,(H2,9,10,12,13,14)/b11-3+
InChIKeyYRNXTIPNYGNKDZ-QDEBKDIKSA-N
MW198.18 g/mol
LogP-1.44
Rot. Bonds2

About 5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione

5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione (PubChem CID 73334137) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione
PubChem CID73334137
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESCN/N=C(\C)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C7H10N4O3/c1-3(11-8-2)4-5(12)9-7(14)10-6(4)13/h4,8H,1-2H3,(H2,9,10,12,13,14)/b11-3+
InChIKeyYRNXTIPNYGNKDZ-QDEBKDIKSA-N
XLogP-1.44
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.44
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)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione (CID 73334137) is 5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione is CN/N=C(\C)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is YRNXTIPNYGNKDZ-QDEBKDIKSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-3(11-8-2)4-5(12)9-7(14)10-6(4)13/h4,8H,1-2H3,(H2,9,10,12,13,14)/b11-3+.
What are the key properties of 5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 198.18 g/mol, XLogP of -1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 73334137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).