N-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

C15H14N4O3 — CID 136720535

IUPACN-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESC/C=C/c1cccc(/C=N\NC(=O)c2ccc(=O)[nH]n2)c1O
InChIInChI=1S/C15H14N4O3/c1-2-4-10-5-3-6-11(14(10)21)9-16-19-15(22)12-7-8-13(20)18-17-12/h2-9,21H,1H3,(H,18,20)(H,19,22)/b4-2+,16-9-
InChIKeyJPTNKZBDJXZRLW-KJJCHWKSSA-N
MW298.30 g/mol
LogP1.27
Rot. Bonds4

About N-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

N-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 136720535) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID136720535
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESC/C=C/c1cccc(/C=N\NC(=O)c2ccc(=O)[nH]n2)c1O
InChIInChI=1S/C15H14N4O3/c1-2-4-10-5-3-6-11(14(10)21)9-16-19-15(22)12-7-8-13(20)18-17-12/h2-9,21H,1H3,(H,18,20)(H,19,22)/b4-2+,16-9-
InChIKeyJPTNKZBDJXZRLW-KJJCHWKSSA-N
XLogP1.27
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.27
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

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
N-[(E)-[3-[(E)-(Acetylhydrazono)methyl]-2-hydroxy-5-isopropyl-phenyl]methyleneamino]acetamide
CID 135455074
6-(2-Hydroxyphenyl)-3(2H)-pyridazinone
CID 3017346
N-[[(5E)-3-tert-butyl-5-[(2-ethanoylhydrazinyl)methylidene]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]methylideneamino]ethanamide
CID 135460417
N'-[(E)-(2-Hydroxyphenyl)methylidene]-6-oxo-1,6-dihydro-3-pyridazinecarbohydrazide
CID 135656379
N-[(2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 251902
(2E)-N'-[(E)-2-Hydroxybenzylidene]-3-phenylprop-2-enohydrazide
CID 136229843
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135723720
Acetic acid, cyano-, salicylidenehydrazide
CID 135455293
(E)-N'-(3-allyl-2-hydroxybenzylidene)-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanehydrazide
CID 135457657
2-cyano-N'-(2-hydroxybenzylidene)-3-(2-hydroxyphenyl)acrylohydrazide
CID 135609425
N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]acetamide
CID 136184469

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (CID 136720535) is N-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is C/C=C/c1cccc(/C=N\NC(=O)c2ccc(=O)[nH]n2)c1O.
What is the InChIKey of N-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is JPTNKZBDJXZRLW-KJJCHWKSSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-2-4-10-5-3-6-11(14(10)21)9-16-19-15(22)12-7-8-13(20)18-17-12/h2-9,21H,1H3,(H,18,20)(H,19,22)/b4-2+,16-9-.
What are the key properties of N-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 136720535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).