4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one

C11H11ClN4O — CID 24998005

IUPAC4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
SMILESCNNc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C11H11ClN4O/c1-13-15-9-7-14-16(11(17)10(9)12)8-5-3-2-4-6-8/h2-7,13,15H,1H3
InChIKeyXMHCGRPIBYHGHT-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.43
Rot. Bonds3

About 4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one

4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one (PubChem CID 24998005) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
PubChem CID24998005
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
SMILESCNNc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C11H11ClN4O/c1-13-15-9-7-14-16(11(17)10(9)12)8-5-3-2-4-6-8/h2-7,13,15H,1H3
InChIKeyXMHCGRPIBYHGHT-UHFFFAOYSA-N
XLogP1.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one
CID 6054872
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
4-chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-phenylpyridazin-3-one
CID 133332334
4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one
CID 9109290
ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
CID 15152626
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
CID 9172583
4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one
CID 133472201
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 9195713
CID 72701644
CID 72701644
4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one
CID 8892435
4-chloro-5-[(2E)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110337470

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one (CID 24998005) is 4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one is CNNc1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one?
The InChIKey is XMHCGRPIBYHGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-13-15-9-7-14-16(11(17)10(9)12)8-5-3-2-4-6-8/h2-7,13,15H,1H3.
What are the key properties of 4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one?
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one has a molecular weight of 250.69 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one is sourced from PubChem (CID 24998005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).