N-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

C12H9ClN4O2 — CID 6882506

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1Cl)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H9ClN4O2/c13-9-4-2-1-3-8(9)7-14-17-12(19)10-5-6-11(18)16-15-10/h1-7H,(H,16,18)(H,17,19)/b14-7+
InChIKeyGYQBJNCBCXEOAS-VGOFMYFVSA-N
MW276.68 g/mol
LogP1.19
Rot. Bonds3

About N-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

N-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 6882506) has the molecular formula C12H9ClN4O2 and a molecular weight of 276.68 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID6882506
Molecular FormulaC12H9ClN4O2
Molecular Weight276.68 g/mol
Exact Mass276.04
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1Cl)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H9ClN4O2/c13-9-4-2-1-3-8(9)7-14-17-12(19)10-5-6-11(18)16-15-10/h1-7H,(H,16,18)(H,17,19)/b14-7+
InChIKeyGYQBJNCBCXEOAS-VGOFMYFVSA-N
XLogP1.19
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diclomezine
CID 93341
6-(4-Chlorophenyl)-2,3-dihydropyridazin-3-one
CID 689085
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576
N'-[(1E)-(2,6-dichlorophenyl)methylene]-2-(5-hydroxy-1H-pyrazol-3-yl)acetohydrazide
CID 6867421
N'-[(E)-(2-chlorophenyl)methylidene]-2-cyanoacetohydrazide
CID 6883998
Acetic acid, (2,6-dichlorobenzylidene)hydrazide
CID 9554212
6-oxo-N'-((1E)-phenylmethylidene)-1,6-dihydropyridazine-3-carbohydrazide
CID 6483743
6-(4-Chlorobenzyl)-3-pyridazinol
CID 1482949
N'-[(E)-(2-chlorophenyl)methylidene]-2-(5-hydroxy-1H-pyrazol-3-yl)acetohydrazide
CID 6885474
N'-[(E)-(2-Chloro-6-fluorophenyl)methylidene]-2-(5-hydroxy-1H-pyrazol-3-YL)acetohydrazide
CID 46496569
Acetic acid, aminooxo-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 6907742
Propanoic acid, 2,2-dimethyl-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 9589045

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (CID 6882506) is N-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is O=C(N/N=C/c1ccccc1Cl)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is GYQBJNCBCXEOAS-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H9ClN4O2/c13-9-4-2-1-3-8(9)7-14-17-12(19)10-5-6-11(18)16-15-10/h1-7H,(H,16,18)(H,17,19)/b14-7+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 276.68 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 6882506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).