4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one

C19H17Cl2N3O2 — CID 133472201

IUPAC4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one
SMILESCC(O)(CNc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccccc1Cl
InChIInChI=1S/C19H17Cl2N3O2/c1-19(26,14-9-5-6-10-15(14)20)12-22-16-11-23-24(18(25)17(16)21)13-7-3-2-4-8-13/h2-11,22,26H,12H2,1H3
InChIKeyCFXYBPWUCJDQOI-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.86
Rot. Bonds5

About 4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one

4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one (PubChem CID 133472201) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one
PubChem CID133472201
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one
SMILESCC(O)(CNc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccccc1Cl
InChIInChI=1S/C19H17Cl2N3O2/c1-19(26,14-9-5-6-10-15(14)20)12-22-16-11-23-24(18(25)17(16)21)13-7-3-2-4-8-13/h2-11,22,26H,12H2,1H3
InChIKeyCFXYBPWUCJDQOI-UHFFFAOYSA-N
XLogP3.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-phenylpyridazin-3-one
CID 133332334
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
CID 15152626
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 9195713
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
CID 9172583
4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one
CID 6054872
4-[4-(2-acetamidoethylamino)-5-chloro-6-oxopyridazin-1-yl]benzoic acid
CID 45319538
[1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium
CID 9194978
4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one
CID 18291225
5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one
CID 17489044

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one (CID 133472201) is 4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one is CC(O)(CNc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccccc1Cl.
What is the InChIKey of 4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one?
The InChIKey is CFXYBPWUCJDQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-19(26,14-9-5-6-10-15(14)20)12-22-16-11-23-24(18(25)17(16)21)13-7-3-2-4-8-13/h2-11,22,26H,12H2,1H3.
What are the key properties of 4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one?
4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one has a molecular weight of 390.27 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 133472201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).