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

C8H12N4O3 — CID 73334138

IUPAC1,3-dimethyl-5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione
SMILESCN/N=C/C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C8H12N4O3/c1-9-10-4-5-6(13)11(2)8(15)12(3)7(5)14/h4-5,9H,1-3H3/b10-4+
InChIKeyXJPPAZKXTYXQHP-ONNFQVAWSA-N
MW212.21 g/mol
LogP-1.14
Rot. Bonds2

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

1,3-dimethyl-5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 73334138) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID73334138
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name1,3-dimethyl-5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione
SMILESCN/N=C/C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C8H12N4O3/c1-9-10-4-5-6(13)11(2)8(15)12(3)7(5)14/h4-5,9H,1-3H3/b10-4+
InChIKeyXJPPAZKXTYXQHP-ONNFQVAWSA-N
XLogP-1.14
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
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 1,3-dimethyl-5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione (CID 73334138) is 1,3-dimethyl-5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione is CN/N=C/C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is XJPPAZKXTYXQHP-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-9-10-4-5-6(13)11(2)8(15)12(3)7(5)14/h4-5,9H,1-3H3/b10-4+.
What are the key properties of 1,3-dimethyl-5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 212.21 g/mol, XLogP of -1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(E)-(methylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 73334138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).