4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one

C17H17BrN4O — CID 4574764

IUPAC4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one
SMILESO=c1c(Br)c(NNC=C2CC=CCC2)cnn1-c1ccccc1
InChIInChI=1S/C17H17BrN4O/c18-16-15(21-19-11-13-7-3-1-4-8-13)12-20-22(17(16)23)14-9-5-2-6-10-14/h1-3,5-6,9-12,19,21H,4,7-8H2
InChIKeyNMYUBZOCGHKDKS-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.54
Rot. Bonds4

About 4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one

4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one (PubChem CID 4574764) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one
PubChem CID4574764
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one
SMILESO=c1c(Br)c(NNC=C2CC=CCC2)cnn1-c1ccccc1
InChIInChI=1S/C17H17BrN4O/c18-16-15(21-19-11-13-7-3-1-4-8-13)12-20-22(17(16)23)14-9-5-2-6-10-14/h1-3,5-6,9-12,19,21H,4,7-8H2
InChIKeyNMYUBZOCGHKDKS-UHFFFAOYSA-N
XLogP3.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one 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 4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one (CID 4574764) is 4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one is O=c1c(Br)c(NNC=C2CC=CCC2)cnn1-c1ccccc1.
What is the InChIKey of 4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one?
The InChIKey is NMYUBZOCGHKDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c18-16-15(21-19-11-13-7-3-1-4-8-13)12-20-22(17(16)23)14-9-5-2-6-10-14/h1-3,5-6,9-12,19,21H,4,7-8H2.
What are the key properties of 4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one?
4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one has a molecular weight of 373.25 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 4574764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).