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

C15H19N5O — CID 59884277

IUPAC(6E)-6-[(Z)-(1-hydroxy-4-propyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine
SMILES[H]/N=C1\C=C(N)/C(=N/N=c2/cc(CCC)ccn2O)C=C1C
InChIInChI=1S/C15H19N5O/c1-3-4-11-5-6-20(21)15(8-11)19-18-14-7-10(2)12(16)9-13(14)17/h5-9,16,21H,3-4,17H2,1-2H3/b16-12+,18-14+,19-15-
InChIKeyZMFIFDGCYXIEEH-LZRZOBLFSA-N
MW285.35 g/mol
LogP1.76
Rot. Bonds3

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

(6E)-6-[(Z)-(1-hydroxy-4-propyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine (PubChem CID 59884277) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (6E)-6-[(Z)-(1-hydroxy-4-propyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine.

Molecular Properties

Compound Name(6E)-6-[(Z)-(1-hydroxy-4-propyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine
PubChem CID59884277
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(6E)-6-[(Z)-(1-hydroxy-4-propyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine
SMILES[H]/N=C1\C=C(N)/C(=N/N=c2/cc(CCC)ccn2O)C=C1C
InChIInChI=1S/C15H19N5O/c1-3-4-11-5-6-20(21)15(8-11)19-18-14-7-10(2)12(16)9-13(14)17/h5-9,16,21H,3-4,17H2,1-2H3/b16-12+,18-14+,19-15-
InChIKeyZMFIFDGCYXIEEH-LZRZOBLFSA-N
XLogP1.76
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.76
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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Launch Full Analysis

Related Compounds

2-(o-aminophenyl)pyridine N-oxide
CID 87541817
4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine
CID 18720657
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
2-N-[(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 59879677
4-N-[(E)-(1-hydroxy-6-methyl-2-pyridinylidene)amino]-2,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 60001490

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(Z)-(1-hydroxy-4-propyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine?
The IUPAC name of (6E)-6-[(Z)-(1-hydroxy-4-propyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine (CID 59884277) is (6E)-6-[(Z)-(1-hydroxy-4-propyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine.
What is the SMILES notation for (6E)-6-[(Z)-(1-hydroxy-4-propyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine?
The canonical SMILES for (6E)-6-[(Z)-(1-hydroxy-4-propyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine is [H]/N=C1\C=C(N)/C(=N/N=c2/cc(CCC)ccn2O)C=C1C.
What is the InChIKey of (6E)-6-[(Z)-(1-hydroxy-4-propyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine?
The InChIKey is ZMFIFDGCYXIEEH-LZRZOBLFSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-4-11-5-6-20(21)15(8-11)19-18-14-7-10(2)12(16)9-13(14)17/h5-9,16,21H,3-4,17H2,1-2H3/b16-12+,18-14+,19-15-.
What are the key properties of (6E)-6-[(Z)-(1-hydroxy-4-propyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine?
(6E)-6-[(Z)-(1-hydroxy-4-propyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine has a molecular weight of 285.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(Z)-(1-hydroxy-4-propyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine is sourced from PubChem (CID 59884277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).