(6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione

C11H9ClN4O2 — CID 136643579

IUPAC(6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione
SMILESO=C1C/C(=N/N=C/c2ccc(Cl)cc2)NC(=O)N1
InChIInChI=1S/C11H9ClN4O2/c12-8-3-1-7(2-4-8)6-13-16-9-5-10(17)15-11(18)14-9/h1-4,6H,5H2,(H2,14,15,16,17,18)/b13-6+
InChIKeyBWJZGXMDIWSPON-AWNIVKPZSA-N
MW264.67 g/mol
LogP1.30
Rot. Bonds2

About (6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione

(6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione (PubChem CID 136643579) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is (6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione
PubChem CID136643579
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name(6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione
SMILESO=C1C/C(=N/N=C/c2ccc(Cl)cc2)NC(=O)N1
InChIInChI=1S/C11H9ClN4O2/c12-8-3-1-7(2-4-8)6-13-16-9-5-10(17)15-11(18)14-9/h1-4,6H,5H2,(H2,14,15,16,17,18)/b13-6+
InChIKeyBWJZGXMDIWSPON-AWNIVKPZSA-N
XLogP1.30
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6E)-6-[(4-chlorophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione
CID 136969982
(5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135935638
(E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine
CID 6907399
(2E)-2-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135641776
(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135926222
(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one
CID 135403139
(5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione
CID 177409028
(2E,5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135779975
(2E,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 135555335
(2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 98107581
4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile
CID 135659492
CID 10012124
CID 10012124

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione?
The IUPAC name of (6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione (CID 136643579) is (6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione?
The canonical SMILES for (6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione is O=C1C/C(=N/N=C/c2ccc(Cl)cc2)NC(=O)N1.
What is the InChIKey of (6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione?
The InChIKey is BWJZGXMDIWSPON-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-8-3-1-7(2-4-8)6-13-16-9-5-10(17)15-11(18)14-9/h1-4,6H,5H2,(H2,14,15,16,17,18)/b13-6+.
What are the key properties of (6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione?
(6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione has a molecular weight of 264.67 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 136643579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).