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

C12H10N4O3 — CID 135656379

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H10N4O3/c17-10-4-2-1-3-8(10)7-13-16-12(19)9-5-6-11(18)15-14-9/h1-7,17H,(H,15,18)(H,16,19)/b13-7+
InChIKeyRAPAYNNWKRHDGM-NTUHNPAUSA-N
MW258.24 g/mol
LogP0.24
Rot. Bonds3

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

N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 135656379) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID135656379
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H10N4O3/c17-10-4-2-1-3-8(10)7-13-16-12(19)9-5-6-11(18)15-14-9/h1-7,17H,(H,15,18)(H,16,19)/b13-7+
InChIKeyRAPAYNNWKRHDGM-NTUHNPAUSA-N
XLogP0.24
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxybenzaldehyde semicarbazone
CID 135466838
Salicylaldehyde Benzoyl Hydrazone
CID 135400584
Mls002667267
CID 241689
Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 135520028
N'-[(E)-(2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647875
(2E)-2-benzylidene-4-hydroxy-N'-[(E)-(2-hydroxyphenyl)methylidene]butanehydrazide
CID 135521411
2-{2-[1-(2-Hydroxyphenyl)propylidene]hydrazino}-2-oxoacetamide
CID 135521546
1,5-Bis(salicylidene)carbohydrazide
CID 96015
6-(2-Hydroxyphenyl)-3(2H)-pyridazinone
CID 3017346
Adipic bis(2-hydroxybenzylidenehydrazide)
CID 135420165
2,4-Dihydroxybenzaldehyde (5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)hydrazone
CID 135412278

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (CID 135656379) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is O=C(N/N=C/c1ccccc1O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is RAPAYNNWKRHDGM-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-10-4-2-1-3-8(10)7-13-16-12(19)9-5-6-11(18)15-14-9/h1-7,17H,(H,15,18)(H,16,19)/b13-7+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 135656379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).