(6E)-6-hydrazinylidene-5-methyldiazinan-3-one

C5H10N4O — CID 135438091

IUPAC(6E)-6-hydrazinylidene-5-methyldiazinan-3-one
SMILESCC1CC(=O)NN/C1=N/N
InChIInChI=1S/C5H10N4O/c1-3-2-4(10)8-9-5(3)7-6/h3H,2,6H2,1H3,(H,7,9)(H,8,10)
InChIKeyJPBRFZNPGNQLOM-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.08
Rot. Bonds

About (6E)-6-hydrazinylidene-5-methyldiazinan-3-one

(6E)-6-hydrazinylidene-5-methyldiazinan-3-one (PubChem CID 135438091) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is (6E)-6-hydrazinylidene-5-methyldiazinan-3-one.

Molecular Properties

Compound Name(6E)-6-hydrazinylidene-5-methyldiazinan-3-one
PubChem CID135438091
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name(6E)-6-hydrazinylidene-5-methyldiazinan-3-one
SMILESCC1CC(=O)NN/C1=N/N
InChIInChI=1S/C5H10N4O/c1-3-2-4(10)8-9-5(3)7-6/h3H,2,6H2,1H3,(H,7,9)(H,8,10)
InChIKeyJPBRFZNPGNQLOM-UHFFFAOYSA-N
XLogP-1.08
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-5-methyldiazinan-3-one?
The IUPAC name of (6E)-6-hydrazinylidene-5-methyldiazinan-3-one (CID 135438091) is (6E)-6-hydrazinylidene-5-methyldiazinan-3-one.
What is the SMILES notation for (6E)-6-hydrazinylidene-5-methyldiazinan-3-one?
The canonical SMILES for (6E)-6-hydrazinylidene-5-methyldiazinan-3-one is CC1CC(=O)NN/C1=N/N.
What is the InChIKey of (6E)-6-hydrazinylidene-5-methyldiazinan-3-one?
The InChIKey is JPBRFZNPGNQLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-3-2-4(10)8-9-5(3)7-6/h3H,2,6H2,1H3,(H,7,9)(H,8,10).
What are the key properties of (6E)-6-hydrazinylidene-5-methyldiazinan-3-one?
(6E)-6-hydrazinylidene-5-methyldiazinan-3-one has a molecular weight of 142.16 g/mol, XLogP of -1.08, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-hydrazinylidene-5-methyldiazinan-3-one is sourced from PubChem (CID 135438091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).