4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine

C11H10N4O — CID 18720657

IUPAC4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine
SMILES[H]N=C1C=CC(=N/N=c2\ccccn2O)C=C1
InChIInChI=1S/C11H10N4O/c12-9-4-6-10(7-5-9)13-14-11-3-1-2-8-15(11)16/h1-8,12,16H/b12-9-,13-10+,14-11+
InChIKeyDXSFBTFZEGRJEP-IGHNMMEESA-N
MW214.23 g/mol
LogP1.13
Rot. Bonds1

About 4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine

4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine (PubChem CID 18720657) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine
PubChem CID18720657
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine
SMILES[H]N=C1C=CC(=N/N=c2\ccccn2O)C=C1
InChIInChI=1S/C11H10N4O/c12-9-4-6-10(7-5-9)13-14-11-3-1-2-8-15(11)16/h1-8,12,16H/b12-9-,13-10+,14-11+
InChIKeyDXSFBTFZEGRJEP-IGHNMMEESA-N
XLogP1.13
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine
CID 118728864
4-[(1-Hydroxy-2-pyridinylidene)hydrazinylidene]pyrazole-3,5-diamine
CID 172027498
5-[(1-Hydroxy-2-pyridinylidene)hydrazinylidene]-6-iminopyridin-2-amine
CID 54021237
5-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-6-iminopyridin-2-amine
CID 58671716
6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine
CID 58671717
6-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine
CID 58671722
4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 58671725
2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 58671729
4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]-2,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 59123292
3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine
CID 59872328
2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 59872341
4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 59879673

Frequently Asked Questions

What is the IUPAC name of 4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine?
The IUPAC name of 4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine (CID 18720657) is 4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine.
What is the SMILES notation for 4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine?
The canonical SMILES for 4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine is [H]N=C1C=CC(=N/N=c2\ccccn2O)C=C1.
What is the InChIKey of 4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine?
The InChIKey is DXSFBTFZEGRJEP-IGHNMMEESA-N. The full InChI is InChI=1S/C11H10N4O/c12-9-4-6-10(7-5-9)13-14-11-3-1-2-8-15(11)16/h1-8,12,16H/b12-9-,13-10+,14-11+.
What are the key properties of 4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine?
4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine has a molecular weight of 214.23 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine is sourced from PubChem (CID 18720657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).