4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one

C13H13ClN4O — CID 6054872

IUPAC4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one
SMILESCC/C=N\Nc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C13H13ClN4O/c1-2-8-15-17-11-9-16-18(13(19)12(11)14)10-6-4-3-5-7-10/h3-9,17H,2H2,1H3/b15-8-
InChIKeyWZWNGFPLSUAFFT-NVNXTCNLSA-N
MW276.73 g/mol
LogP2.69
Rot. Bonds4

About 4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one

4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one (PubChem CID 6054872) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one
PubChem CID6054872
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one
SMILESCC/C=N\Nc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C13H13ClN4O/c1-2-8-15-17-11-9-16-18(13(19)12(11)14)10-6-4-3-5-7-10/h3-9,17H,2H2,1H3/b15-8-
InChIKeyWZWNGFPLSUAFFT-NVNXTCNLSA-N
XLogP2.69
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-chloro-5-[(2E)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110337470
CID 72701644
CID 72701644
4-chloro-5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 4677803
4-chloro-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 5231061
4-chloro-2-phenyl-5-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one
CID 110512565
4-chloro-5-[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 136787504
4-chloro-5-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 112538298
4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110339288
4-chloro-2-phenyl-5-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one
CID 112538310
4-chloro-5-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110339399
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
4-chloro-5-[(2E)-2-[(3-pentoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 39007895

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one (CID 6054872) is 4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one is CC/C=N\Nc1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one?
The InChIKey is WZWNGFPLSUAFFT-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-2-8-15-17-11-9-16-18(13(19)12(11)14)10-6-4-3-5-7-10/h3-9,17H,2H2,1H3/b15-8-.
What are the key properties of 4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one?
4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one has a molecular weight of 276.73 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one is sourced from PubChem (CID 6054872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).