2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one

C20H20ClN3O2 — CID 133375920

IUPAC2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one
SMILESCc1cccc(C(O)CNc2cnn(Cc3ccccc3)c(=O)c2Cl)c1
InChIInChI=1S/C20H20ClN3O2/c1-14-6-5-9-16(10-14)18(25)12-22-17-11-23-24(20(26)19(17)21)13-15-7-3-2-4-8-15/h2-11,18,22,25H,12-13H2,1H3
InChIKeyMAFCHCHSFYOVPQ-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.40
Rot. Bonds6

About 2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one

2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one (PubChem CID 133375920) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one
PubChem CID133375920
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one
SMILESCc1cccc(C(O)CNc2cnn(Cc3ccccc3)c(=O)c2Cl)c1
InChIInChI=1S/C20H20ClN3O2/c1-14-6-5-9-16(10-14)18(25)12-22-17-11-23-24(20(26)19(17)21)13-15-7-3-2-4-8-15/h2-11,18,22,25H,12-13H2,1H3
InChIKeyMAFCHCHSFYOVPQ-UHFFFAOYSA-N
XLogP3.40
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one
CID 49225583
2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 55346837
2-(2-chloroanilino)-1-(3-methylphenyl)ethanol
CID 82044958
2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one
CID 114433970
2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one
CID 133290057
2-benzyl-4-chloro-5-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]pyridazin-3-one
CID 133399133
2-benzyl-4-chloro-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496774
2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide
CID 133310951
methyl N-[4-[[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]phenyl]carbamate
CID 60504808
2-(2-chloro-4-methylanilino)-1-phenylethanol
CID 55026534
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
CID 114432372
2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one
CID 133417909

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one?
The IUPAC name of 2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one (CID 133375920) is 2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one?
The canonical SMILES for 2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one is Cc1cccc(C(O)CNc2cnn(Cc3ccccc3)c(=O)c2Cl)c1.
What is the InChIKey of 2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one?
The InChIKey is MAFCHCHSFYOVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-6-5-9-16(10-14)18(25)12-22-17-11-23-24(20(26)19(17)21)13-15-7-3-2-4-8-15/h2-11,18,22,25H,12-13H2,1H3.
What are the key properties of 2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one?
2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one has a molecular weight of 369.85 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one is sourced from PubChem (CID 133375920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).