5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one

C13H11ClN4O — CID 3253197

IUPAC5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NN=CC=Cc2ccccc2)c1Cl
InChIInChI=1S/C13H11ClN4O/c14-12-11(9-16-18-13(12)19)17-15-8-4-7-10-5-2-1-3-6-10/h1-9H,(H2,17,18,19)
InChIKeyGAAJAKKWZSDRMV-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.53
Rot. Bonds4

About 5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one

5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one (PubChem CID 3253197) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one
PubChem CID3253197
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NN=CC=Cc2ccccc2)c1Cl
InChIInChI=1S/C13H11ClN4O/c14-12-11(9-16-18-13(12)19)17-15-8-4-7-10-5-2-1-3-6-10/h1-9H,(H2,17,18,19)
InChIKeyGAAJAKKWZSDRMV-UHFFFAOYSA-N
XLogP2.53
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.53
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'}

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Related Compounds

5-chloro-4-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 6247441
5-chloro-4-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790376
5-chloro-4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790382
5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7745615
5-chloro-4-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790362
5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790384
4-[2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 7200267
5-chloro-4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one
CID 135606125
methyl 4-[(E)-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]methyl]benzoate
CID 110337939
5-chloro-4-[(2E)-2-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110340730
5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one
CID 6249191
5-chloro-4-[(2E)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338812

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one (CID 3253197) is 5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one is O=c1[nH]ncc(NN=CC=Cc2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one?
The InChIKey is GAAJAKKWZSDRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c14-12-11(9-16-18-13(12)19)17-15-8-4-7-10-5-2-1-3-6-10/h1-9H,(H2,17,18,19).
What are the key properties of 5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one?
5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one has a molecular weight of 274.71 g/mol, XLogP of 2.53, 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-cinnamylidenehydrazinyl)-1H-pyridazin-6-one is sourced from PubChem (CID 3253197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).