(6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione

C9H16N4O2 — CID 172933246

IUPAC(6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione
SMILESCC(C)CN1C(=O)N(C)C(=O)C/C1=N\N
InChIInChI=1S/C9H16N4O2/c1-6(2)5-13-7(11-10)4-8(14)12(3)9(13)15/h6H,4-5,10H2,1-3H3/b11-7+
InChIKeyAIKDFZOMVGWAIU-YRNVUSSQSA-N
MW212.25 g/mol
LogP0.20
Rot. Bonds2

About (6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione

(6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione (PubChem CID 172933246) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione
PubChem CID172933246
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name(6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione
SMILESCC(C)CN1C(=O)N(C)C(=O)C/C1=N\N
InChIInChI=1S/C9H16N4O2/c1-6(2)5-13-7(11-10)4-8(14)12(3)9(13)15/h6H,4-5,10H2,1-3H3/b11-7+
InChIKeyAIKDFZOMVGWAIU-YRNVUSSQSA-N
XLogP0.20
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione?
The IUPAC name of (6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione (CID 172933246) is (6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for (6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione is CC(C)CN1C(=O)N(C)C(=O)C/C1=N\N.
What is the InChIKey of (6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione?
The InChIKey is AIKDFZOMVGWAIU-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(2)5-13-7(11-10)4-8(14)12(3)9(13)15/h6H,4-5,10H2,1-3H3/b11-7+.
What are the key properties of (6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione?
(6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 172933246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).