6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine

C12H13N5O — CID 58671717

IUPAC6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine
SMILES[H]/N=C1\C=C(N)C(=N/N=c2\ccccn2O)C=C1C
InChIInChI=1S/C12H13N5O/c1-8-6-11(10(14)7-9(8)13)15-16-12-4-2-3-5-17(12)18/h2-7,13,18H,14H2,1H3/b13-9+,15-11?,16-12+
InChIKeyWSEDETKOAIGTEN-IWLMYLBYSA-N
MW243.27 g/mol
LogP0.80
Rot. Bonds1

About 6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine

6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine (PubChem CID 58671717) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine.

Molecular Properties

Compound Name6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine
PubChem CID58671717
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine
SMILES[H]/N=C1\C=C(N)C(=N/N=c2\ccccn2O)C=C1C
InChIInChI=1S/C12H13N5O/c1-8-6-11(10(14)7-9(8)13)15-16-12-4-2-3-5-17(12)18/h2-7,13,18H,14H2,1H3/b13-9+,15-11?,16-12+
InChIKeyWSEDETKOAIGTEN-IWLMYLBYSA-N
XLogP0.80
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.80
H-Bond Donors ≤ 53
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'}

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Related Compounds

Pyridine, 1-oxide, 2-p-aminophenyl-
CID 3723025
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-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

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine?
The IUPAC name of 6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine (CID 58671717) is 6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine.
What is the SMILES notation for 6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine?
The canonical SMILES for 6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine is [H]/N=C1\C=C(N)C(=N/N=c2\ccccn2O)C=C1C.
What is the InChIKey of 6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine?
The InChIKey is WSEDETKOAIGTEN-IWLMYLBYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8-6-11(10(14)7-9(8)13)15-16-12-4-2-3-5-17(12)18/h2-7,13,18H,14H2,1H3/b13-9+,15-11?,16-12+.
What are the key properties of 6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine?
6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine has a molecular weight of 243.27 g/mol, XLogP of 0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine is sourced from PubChem (CID 58671717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).