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

C13H12N4O3 — CID 135492290

IUPACN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccc(=O)[nH]n1)c1ccccc1O
InChIInChI=1S/C13H12N4O3/c1-8(9-4-2-3-5-11(9)18)14-17-13(20)10-6-7-12(19)16-15-10/h2-7,18H,1H3,(H,16,19)(H,17,20)/b14-8+
InChIKeyVAJLKUFHZGFEBN-RIYZIHGNSA-N
MW272.26 g/mol
LogP0.63
Rot. Bonds3

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

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 135492290) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID135492290
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccc(=O)[nH]n1)c1ccccc1O
InChIInChI=1S/C13H12N4O3/c1-8(9-4-2-3-5-11(9)18)14-17-13(20)10-6-7-12(19)16-15-10/h2-7,18H,1H3,(H,16,19)(H,17,20)/b14-8+
InChIKeyVAJLKUFHZGFEBN-RIYZIHGNSA-N
XLogP0.63
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.63
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (CID 135492290) is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is C/C(=N\NC(=O)c1ccc(=O)[nH]n1)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is VAJLKUFHZGFEBN-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8(9-4-2-3-5-11(9)18)14-17-13(20)10-6-7-12(19)16-15-10/h2-7,18H,1H3,(H,16,19)(H,17,20)/b14-8+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 135492290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).