[(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate

C8H10N4O4 — CID 165344930

IUPAC[(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate
SMILESC/N=C1\NC(=O)N(C)C(=O)C1=NOC(C)=O
InChIInChI=1S/C8H10N4O4/c1-4(13)16-11-5-6(9-2)10-8(15)12(3)7(5)14/h1-3H3,(H,9,10,15)
InChIKeyOJRBKJKZKPFZCQ-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.88
Rot. Bonds1

About [(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate

[(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate (PubChem CID 165344930) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is [(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate.

Molecular Properties

Compound Name[(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate
PubChem CID165344930
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name[(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate
SMILESC/N=C1\NC(=O)N(C)C(=O)C1=NOC(C)=O
InChIInChI=1S/C8H10N4O4/c1-4(13)16-11-5-6(9-2)10-8(15)12(3)7(5)14/h1-3H3,(H,9,10,15)
InChIKeyOJRBKJKZKPFZCQ-UHFFFAOYSA-N
XLogP-0.88
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate?
The IUPAC name of [(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate (CID 165344930) is [(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate.
What is the SMILES notation for [(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate?
The canonical SMILES for [(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate is C/N=C1\NC(=O)N(C)C(=O)C1=NOC(C)=O.
What is the InChIKey of [(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate?
The InChIKey is OJRBKJKZKPFZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c1-4(13)16-11-5-6(9-2)10-8(15)12(3)7(5)14/h1-3H3,(H,9,10,15).
What are the key properties of [(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate?
[(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate has a molecular weight of 226.19 g/mol, XLogP of -0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate is sourced from PubChem (CID 165344930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).