2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one

C19H17Cl2N3O — CID 18149973

IUPAC2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one
SMILESCN(Cn1ncc(Cl)c(Cl)c1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17Cl2N3O/c1-23(13-24-19(25)17(21)16(20)12-22-24)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,18H,13H2,1H3
InChIKeyBHIZMHXYYNSPGV-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.23
Rot. Bonds5

About 2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one

2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one (PubChem CID 18149973) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is 2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one.

Molecular Properties

Compound Name2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one
PubChem CID18149973
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one
SMILESCN(Cn1ncc(Cl)c(Cl)c1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17Cl2N3O/c1-23(13-24-19(25)17(21)16(20)12-22-24)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,18H,13H2,1H3
InChIKeyBHIZMHXYYNSPGV-UHFFFAOYSA-N
XLogP4.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide
CID 7419674
4,5-dichloro-2-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one
CID 52331418
4,5-Dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one
CID 134962840
2-[[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-dichloropyridazin-3-one
CID 17476952
4-Chloro-5-[cyclohexyl(methyl)amino]-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 19245539
5-[Benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 19245540
4,5-Dichloro-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridazin-3-one
CID 39740152
4,5-Dichloro-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyridazin-3-one
CID 39771303
4,5-Dichloro-2-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one
CID 47060783
4,5-Dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one
CID 51124351
4,5-dichloro-2-[[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one
CID 52331420
4,5-Dichloro-2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one
CID 55813498

Frequently Asked Questions

What is the IUPAC name of 2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one?
The IUPAC name of 2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one (CID 18149973) is 2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one.
What is the SMILES notation for 2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one?
The canonical SMILES for 2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one is CN(Cn1ncc(Cl)c(Cl)c1=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one?
The InChIKey is BHIZMHXYYNSPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c1-23(13-24-19(25)17(21)16(20)12-22-24)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,18H,13H2,1H3.
What are the key properties of 2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one?
2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one has a molecular weight of 374.27 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one is sourced from PubChem (CID 18149973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).