3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one

C13H14N4O2 — CID 58671723

IUPAC3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one
SMILESCN(C)C1=CC(=O)C=CC1=N/N=c1\ccccn1O
InChIInChI=1S/C13H14N4O2/c1-16(2)12-9-10(18)6-7-11(12)14-15-13-5-3-4-8-17(13)19/h3-9,19H,1-2H3/b14-11?,15-13+
InChIKeyVIAHDTQERVSEDD-BKXJIJFLSA-N
MW258.28 g/mol
LogP0.57
Rot. Bonds2

About 3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one

3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one (PubChem CID 58671723) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one
PubChem CID58671723
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one
SMILESCN(C)C1=CC(=O)C=CC1=N/N=c1\ccccn1O
InChIInChI=1S/C13H14N4O2/c1-16(2)12-9-10(18)6-7-11(12)14-15-13-5-3-4-8-17(13)19/h3-9,19H,1-2H3/b14-11?,15-13+
InChIKeyVIAHDTQERVSEDD-BKXJIJFLSA-N
XLogP0.57
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
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

4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 18720646
5-amino-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one
CID 58620404
4-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one
CID 58671714
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)-6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-one
CID 59879676
4-[(1-Hydroxy-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one
CID 71026917
4-[(1-Hydroxy-2-pyridinylidene)hydrazinylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 71026920
3-(Dimethylamino)-4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one
CID 71026921
4-[(1-Hydroxy-4-methyl-2-pyridinylidene)hydrazinylidene]-2,5-dimethylcyclohexa-2,5-dien-1-one
CID 71026922
5-Amino-4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-2-methylcyclohexa-2,5-dien-1-one
CID 76840275
(6E)-3-(dimethylamino)-6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-one
CID 162522956

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of 3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one (CID 58671723) is 3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one is CN(C)C1=CC(=O)C=CC1=N/N=c1\ccccn1O.
What is the InChIKey of 3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is VIAHDTQERVSEDD-BKXJIJFLSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-16(2)12-9-10(18)6-7-11(12)14-15-13-5-3-4-8-17(13)19/h3-9,19H,1-2H3/b14-11?,15-13+.
What are the key properties of 3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one?
3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 258.28 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 58671723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).