2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine

C13H14N4O — CID 59872341

IUPAC2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine
SMILES[H]/N=C1\C=C(C)C(C)=CC1=NN=c1ccccn1O
InChIInChI=1S/C13H14N4O/c1-9-7-11(14)12(8-10(9)2)15-16-13-5-3-4-6-17(13)18/h3-8,14,18H,1-2H3/b14-11+,15-12?,16-13?
InChIKeyLHSMWROFFFPQQC-WMVVUXJASA-N
MW242.28 g/mol
LogP1.91
Rot. Bonds1

About 2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine

2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine (PubChem CID 59872341) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine
PubChem CID59872341
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine
SMILES[H]/N=C1\C=C(C)C(C)=CC1=NN=c1ccccn1O
InChIInChI=1S/C13H14N4O/c1-9-7-11(14)12(8-10(9)2)15-16-13-5-3-4-6-17(13)18/h3-8,14,18H,1-2H3/b14-11+,15-12?,16-13?
InChIKeyLHSMWROFFFPQQC-WMVVUXJASA-N
XLogP1.91
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine with MolForge

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Related Compounds

(E)-(2-hydroxyisoquinolin-3-ylidene)hydrazine
CID 12296713
2-(o-aminophenyl)pyridine N-oxide
CID 87541817
4-Ethyl-1-hydroxypyridin-2-imine
CID 131300890
Benzenamine, N4-oxide
CID 54606662
4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine
CID 18720657
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

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of 2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine (CID 59872341) is 2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for 2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for 2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine is [H]/N=C1\C=C(C)C(C)=CC1=NN=c1ccccn1O.
What is the InChIKey of 2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine?
The InChIKey is LHSMWROFFFPQQC-WMVVUXJASA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-7-11(14)12(8-10(9)2)15-16-13-5-3-4-6-17(13)18/h3-8,14,18H,1-2H3/b14-11+,15-12?,16-13?.
What are the key properties of 2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine?
2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine has a molecular weight of 242.28 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 59872341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).