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

C5H7N3O2 — CID 136622886

IUPAC6-methylimino-1,3-diazinane-2,4-dione
SMILESC/N=C1\CC(=O)NC(=O)N1
InChIInChI=1S/C5H7N3O2/c1-6-3-2-4(9)8-5(10)7-3/h2H2,1H3,(H2,6,7,8,9,10)
InChIKeyPFPICNVHIUNUEG-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.76
Rot. Bonds

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

6-methylimino-1,3-diazinane-2,4-dione (PubChem CID 136622886) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 6-methylimino-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-methylimino-1,3-diazinane-2,4-dione
PubChem CID136622886
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name6-methylimino-1,3-diazinane-2,4-dione
SMILESC/N=C1\CC(=O)NC(=O)N1
InChIInChI=1S/C5H7N3O2/c1-6-3-2-4(9)8-5(10)7-3/h2H2,1H3,(H2,6,7,8,9,10)
InChIKeyPFPICNVHIUNUEG-UHFFFAOYSA-N
XLogP-0.76
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylimino-1,3-diazinane-2,4-dione?
The IUPAC name of 6-methylimino-1,3-diazinane-2,4-dione (CID 136622886) is 6-methylimino-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-methylimino-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-methylimino-1,3-diazinane-2,4-dione is C/N=C1\CC(=O)NC(=O)N1.
What is the InChIKey of 6-methylimino-1,3-diazinane-2,4-dione?
The InChIKey is PFPICNVHIUNUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-6-3-2-4(9)8-5(10)7-3/h2H2,1H3,(H2,6,7,8,9,10).
What are the key properties of 6-methylimino-1,3-diazinane-2,4-dione?
6-methylimino-1,3-diazinane-2,4-dione has a molecular weight of 141.13 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylimino-1,3-diazinane-2,4-dione is sourced from PubChem (CID 136622886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).