(6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one

C6H12N4O — CID 135523748

IUPAC(6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one
SMILESCC1(C)CC(=O)NN/C1=N\N
InChIInChI=1S/C6H12N4O/c1-6(2)3-4(11)9-10-5(6)8-7/h3,7H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyKBQUNUSFIJWTQR-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.69
Rot. Bonds

About (6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one

(6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one (PubChem CID 135523748) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is (6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one.

Molecular Properties

Compound Name(6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one
PubChem CID135523748
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name(6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one
SMILESCC1(C)CC(=O)NN/C1=N\N
InChIInChI=1S/C6H12N4O/c1-6(2)3-4(11)9-10-5(6)8-7/h3,7H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyKBQUNUSFIJWTQR-UHFFFAOYSA-N
XLogP-0.69
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.69
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 (6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one?
The IUPAC name of (6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one (CID 135523748) is (6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one.
What is the SMILES notation for (6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one?
The canonical SMILES for (6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one is CC1(C)CC(=O)NN/C1=N\N.
What is the InChIKey of (6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one?
The InChIKey is KBQUNUSFIJWTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-6(2)3-4(11)9-10-5(6)8-7/h3,7H2,1-2H3,(H,8,10)(H,9,11).
What are the key properties of (6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one?
(6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one has a molecular weight of 156.19 g/mol, XLogP of -0.69, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-hydrazinylidene-5,5-dimethyldiazinan-3-one is sourced from PubChem (CID 135523748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).