5-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C8H12N4O3 — CID 73334135

IUPAC5-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\N)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C8H12N4O3/c1-4(10-9)5-6(13)11(2)8(15)12(3)7(5)14/h5H,9H2,1-3H3/b10-4+
InChIKeySKUDCNJWFNNLEK-ONNFQVAWSA-N
MW212.21 g/mol
LogP-1.01
Rot. Bonds1

About 5-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 73334135) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID73334135
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name5-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\N)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C8H12N4O3/c1-4(10-9)5-6(13)11(2)8(15)12(3)7(5)14/h5H,9H2,1-3H3/b10-4+
InChIKeySKUDCNJWFNNLEK-ONNFQVAWSA-N
XLogP-1.01
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 73334135) is 5-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione is C/C(=N\N)C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is SKUDCNJWFNNLEK-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-4(10-9)5-6(13)11(2)8(15)12(3)7(5)14/h5H,9H2,1-3H3/b10-4+.
What are the key properties of 5-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 212.21 g/mol, XLogP of -1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 73334135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).