5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione

C6H7N3O3 — CID 122496393

IUPAC5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESC/N=C/C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H7N3O3/c1-7-2-3-4(10)8-6(12)9-5(3)11/h2-3H,1H3,(H2,8,9,10,11,12)/b7-2+
InChIKeyMOHWPCZTOSOZSD-FARCUNLSSA-N
MW169.14 g/mol
LogP-1.33
Rot. Bonds1

About 5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione

5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 122496393) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID122496393
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESC/N=C/C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H7N3O3/c1-7-2-3-4(10)8-6(12)9-5(3)11/h2-3H,1H3,(H2,8,9,10,11,12)/b7-2+
InChIKeyMOHWPCZTOSOZSD-FARCUNLSSA-N
XLogP-1.33
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 122496393) is 5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione is C/N=C/C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is MOHWPCZTOSOZSD-FARCUNLSSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-7-2-3-4(10)8-6(12)9-5(3)11/h2-3H,1H3,(H2,8,9,10,11,12)/b7-2+.
What are the key properties of 5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione?
5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 169.14 g/mol, XLogP of -1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 122496393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).