3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol

C14H16N4O3 — CID 70541347

IUPAC3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol
SMILESOCC(O)COc1ccc(NN=Cc2ccccc2)nn1
InChIInChI=1S/C14H16N4O3/c19-9-12(20)10-21-14-7-6-13(17-18-14)16-15-8-11-4-2-1-3-5-11/h1-8,12,19-20H,9-10H2,(H,16,17)
InChIKeyNKIUEKIIBRTLNE-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.65
Rot. Bonds7

About 3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol

3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol (PubChem CID 70541347) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol.

Molecular Properties

Compound Name3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol
PubChem CID70541347
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol
SMILESOCC(O)COc1ccc(NN=Cc2ccccc2)nn1
InChIInChI=1S/C14H16N4O3/c19-9-12(20)10-21-14-7-6-13(17-18-14)16-15-8-11-4-2-1-3-5-11/h1-8,12,19-20H,9-10H2,(H,16,17)
InChIKeyNKIUEKIIBRTLNE-UHFFFAOYSA-N
XLogP0.65
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol?
The IUPAC name of 3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol (CID 70541347) is 3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol.
What is the SMILES notation for 3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol?
The canonical SMILES for 3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol is OCC(O)COc1ccc(NN=Cc2ccccc2)nn1.
What is the InChIKey of 3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol?
The InChIKey is NKIUEKIIBRTLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-9-12(20)10-21-14-7-6-13(17-18-14)16-15-8-11-4-2-1-3-5-11/h1-8,12,19-20H,9-10H2,(H,16,17).
What are the key properties of 3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol?
3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol has a molecular weight of 288.31 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-benzylidenehydrazinyl)pyridazin-3-yl]oxypropane-1,2-diol is sourced from PubChem (CID 70541347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).