N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

C12H10N4O3 — CID 135656287

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H10N4O3/c17-9-3-1-8(2-4-9)7-13-16-12(19)10-5-6-11(18)15-14-10/h1-7,17H,(H,15,18)(H,16,19)/b13-7+
InChIKeyCOJZUWWLDLPRSF-NTUHNPAUSA-N
MW258.24 g/mol
LogP0.24
Rot. Bonds3

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 135656287) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID135656287
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H10N4O3/c17-9-3-1-8(2-4-9)7-13-16-12(19)10-5-6-11(18)15-14-10/h1-7,17H,(H,15,18)(H,16,19)/b13-7+
InChIKeyCOJZUWWLDLPRSF-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_B(215)', '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

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
1,3-Bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea
CID 135458727
4-Hydroxybenzaldehyde semicarbazone
CID 135400267
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360
6-(2-Hydroxyphenyl)-3(2H)-pyridazinone
CID 3017346
N'~1~,N'~3~-bis[(E)-(4-hydroxyphenyl)methylidene]propanedihydrazide
CID 135648265
(2E)-2-benzylidene-4-hydroxy-N'-[(E)-(4-hydroxyphenyl)methylidene]butanehydrazide
CID 135521519
N'-[(E)-(2-Hydroxyphenyl)methylidene]-6-oxo-1,6-dihydro-3-pyridazinecarbohydrazide
CID 135656379
N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 5334049
N,N'-bis[(4-hydroxyphenyl)methylideneamino]oxamide
CID 243880
N'-(4-hydroxybenzylidene)-3-methylenecyclobutanecarbohydrazide
CID 135521404
2-(5-hydroxy-3-methyl-1H-pyrazol-4-yl)-N'-[(1Z)-1-(4-hydroxyphenyl)ethylidene]acetohydrazide
CID 135521455

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (CID 135656287) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is O=C(N/N=C/c1ccc(O)cc1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is COJZUWWLDLPRSF-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-9-3-1-8(2-4-9)7-13-16-12(19)10-5-6-11(18)15-14-10/h1-7,17H,(H,15,18)(H,16,19)/b13-7+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(E)-(4-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)-(4-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 135656287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).