N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

C12H10N4O4 — CID 135452822

IUPACN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N/N=C\c1ccc(O)cc1O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H10N4O4/c17-8-2-1-7(10(18)5-8)6-13-16-12(20)9-3-4-11(19)15-14-9/h1-6,17-18H,(H,15,19)(H,16,20)/b13-6-
InChIKeyMTPRLPSFYUBLCE-MLPAPPSSSA-N
MW274.24 g/mol
LogP-0.05
Rot. Bonds3

About N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 135452822) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID135452822
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N/N=C\c1ccc(O)cc1O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H10N4O4/c17-8-2-1-7(10(18)5-8)6-13-16-12(20)9-3-4-11(19)15-14-9/h1-6,17-18H,(H,15,19)(H,16,20)/b13-6-
InChIKeyMTPRLPSFYUBLCE-MLPAPPSSSA-N
XLogP-0.05
TPSA127.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(2,4-dihydroxyphenyl)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

N'~1~,N'~2~-bis(2,4-dihydroxybenzylidene)ethanedihydrazide
CID 135576680
N'-(2,4-dihydroxybenzylidene)cyclopropanecarbohydrazide
CID 135643065
(2E)-2-benzylidene-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-4-hydroxybutanehydrazide
CID 135517036
6-(2-Hydroxyphenyl)-3(2H)-pyridazinone
CID 3017346
Benzoic (2,4-dihydroxybenzylidene)hydrazide
CID 135458840
2,4-Dihydroxybenzaldehyde (5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)hydrazone
CID 135412278
2-[2-[(1E)-1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]-2-oxoacetamide
CID 135510253
(Z)-N-[2-oxidanylidene-2-[2-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]ethyl]-3-phenyl-prop-2-enamide
CID 135549626
N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide
CID 137285476
2,4-Dihydroxybenzaldehyde semicarbazone
CID 135504430
N'-(2,4-Dihydroxybenzylidene)acetohydrazide
CID 135615765
N'-[(E)-(2-Hydroxyphenyl)methylidene]-6-oxo-1,6-dihydro-3-pyridazinecarbohydrazide
CID 135656379

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (CID 135452822) is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is O=C(N/N=C\c1ccc(O)cc1O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is MTPRLPSFYUBLCE-MLPAPPSSSA-N. The full InChI is InChI=1S/C12H10N4O4/c17-8-2-1-7(10(18)5-8)6-13-16-12(20)9-3-4-11(19)15-14-9/h1-6,17-18H,(H,15,19)(H,16,20)/b13-6-.
What are the key properties of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 274.24 g/mol, XLogP of -0.05, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 135452822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).