5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

C14H15ClN4O — CID 2790384

IUPAC5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCC(C)c1ccc(C=NNc2cn[nH]c(=O)c2Cl)cc1
InChIInChI=1S/C14H15ClN4O/c1-9(2)11-5-3-10(4-6-11)7-16-18-12-8-17-19-14(20)13(12)15/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyZHLVWJBWGFSMFF-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.99
Rot. Bonds4

About 5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 2790384) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID2790384
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCC(C)c1ccc(C=NNc2cn[nH]c(=O)c2Cl)cc1
InChIInChI=1S/C14H15ClN4O/c1-9(2)11-5-3-10(4-6-11)7-16-18-12-8-17-19-14(20)13(12)15/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyZHLVWJBWGFSMFF-UHFFFAOYSA-N
XLogP2.99
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 7200267
methyl 4-[(E)-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]methyl]benzoate
CID 110337939
5-chloro-4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790382
5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509805
5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7745615
5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509803
5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338812
5-chloro-4-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135704566
5-chloro-4-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 3476263
5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
CID 78970910
5-chloro-4-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790362
5-chloro-4-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 6247441

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 2790384) is 5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is CC(C)c1ccc(C=NNc2cn[nH]c(=O)c2Cl)cc1.
What is the InChIKey of 5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is ZHLVWJBWGFSMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-9(2)11-5-3-10(4-6-11)7-16-18-12-8-17-19-14(20)13(12)15/h3-9H,1-2H3,(H2,18,19,20).
What are the key properties of 5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 290.75 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 2790384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).