5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid

C16H17N3O3 — CID 10518243

IUPAC5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid
SMILESO=C(O)CCCCO/N=C(/c1ccccc1)c1cccnn1
InChIInChI=1S/C16H17N3O3/c20-15(21)10-4-5-12-22-19-16(13-7-2-1-3-8-13)14-9-6-11-17-18-14/h1-3,6-9,11H,4-5,10,12H2,(H,20,21)/b19-16-
InChIKeyOOVIRZPRGTZZNQ-MNDPQUGUSA-N
MW299.33 g/mol
LogP2.50
Rot. Bonds8

About 5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid

5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid (PubChem CID 10518243) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid.

Molecular Properties

Compound Name5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid
PubChem CID10518243
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid
SMILESO=C(O)CCCCO/N=C(/c1ccccc1)c1cccnn1
InChIInChI=1S/C16H17N3O3/c20-15(21)10-4-5-12-22-19-16(13-7-2-1-3-8-13)14-9-6-11-17-18-14/h1-3,6-9,11H,4-5,10,12H2,(H,20,21)/b19-16-
InChIKeyOOVIRZPRGTZZNQ-MNDPQUGUSA-N
XLogP2.50
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid?
The IUPAC name of 5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid (CID 10518243) is 5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid.
What is the SMILES notation for 5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid?
The canonical SMILES for 5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid is O=C(O)CCCCO/N=C(/c1ccccc1)c1cccnn1.
What is the InChIKey of 5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid?
The InChIKey is OOVIRZPRGTZZNQ-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(21)10-4-5-12-22-19-16(13-7-2-1-3-8-13)14-9-6-11-17-18-14/h1-3,6-9,11H,4-5,10,12H2,(H,20,21)/b19-16-.
What are the key properties of 5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid?
5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxypentanoic acid is sourced from PubChem (CID 10518243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).