5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one

C12H12N4O2 — CID 58620404

IUPAC5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one
SMILESCC1=CC(=N/N=c2\ccccn2O)C(N)=CC1=O
InChIInChI=1S/C12H12N4O2/c1-8-6-10(9(13)7-11(8)17)14-15-12-4-2-3-5-16(12)18/h2-7,18H,13H2,1H3/b14-10?,15-12+
InChIKeyUUSCUBDERMXFPZ-ZTYJJYJNSA-N
MW244.25 g/mol
LogP0.35
Rot. Bonds1

About 5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one

5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one (PubChem CID 58620404) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one
PubChem CID58620404
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one
SMILESCC1=CC(=N/N=c2\ccccn2O)C(N)=CC1=O
InChIInChI=1S/C12H12N4O2/c1-8-6-10(9(13)7-11(8)17)14-15-12-4-2-3-5-16(12)18/h2-7,18H,13H2,1H3/b14-10?,15-12+
InChIKeyUUSCUBDERMXFPZ-ZTYJJYJNSA-N
XLogP0.35
TPSA92.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 18720646
N-[6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide
CID 58671712
4-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one
CID 58671714
4-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one
CID 58671715
4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one
CID 58671718
3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-one
CID 58671720
3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one
CID 58671723
3-(Dimethylamino)-6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-one
CID 59879676
N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide
CID 59884279
4-[(1-Hydroxy-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one
CID 71026917
N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]acetamide
CID 71026918
4-[(1-Hydroxy-6-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one
CID 71026919

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one?
The IUPAC name of 5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one (CID 58620404) is 5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one is CC1=CC(=N/N=c2\ccccn2O)C(N)=CC1=O.
What is the InChIKey of 5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one?
The InChIKey is UUSCUBDERMXFPZ-ZTYJJYJNSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-6-10(9(13)7-11(8)17)14-15-12-4-2-3-5-16(12)18/h2-7,18H,13H2,1H3/b14-10?,15-12+.
What are the key properties of 5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one?
5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one has a molecular weight of 244.25 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 58620404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).