2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one

C16H20ClN3O2 — CID 49225583

IUPAC2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one
SMILESCC(C)(C)n1ncc(NCC(O)c2ccccc2)c(Cl)c1=O
InChIInChI=1S/C16H20ClN3O2/c1-16(2,3)20-15(22)14(17)12(9-19-20)18-10-13(21)11-7-5-4-6-8-11/h4-9,13,18,21H,10H2,1-3H3
InChIKeyLNYPJERZNYYUFB-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.80
Rot. Bonds4

About 2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one

2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one (PubChem CID 49225583) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one
PubChem CID49225583
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one
SMILESCC(C)(C)n1ncc(NCC(O)c2ccccc2)c(Cl)c1=O
InChIInChI=1S/C16H20ClN3O2/c1-16(2,3)20-15(22)14(17)12(9-19-20)18-10-13(21)11-7-5-4-6-8-11/h4-9,13,18,21H,10H2,1-3H3
InChIKeyLNYPJERZNYYUFB-UHFFFAOYSA-N
XLogP2.80
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one
CID 133375920
2-tert-butyl-4-chloro-5-(2-phenylethylsulfanyl)pyridazin-3-one
CID 22358119
2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol
CID 79839104
4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one
CID 133307842
4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133323547
2-tert-butyl-4-chloro-5-[(4-phenylphenyl)methylsulfanyl]pyridazin-3-one
CID 13469257
4-chloro-2-methyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 113222234
5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114445572
2-tert-butyl-4-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
CID 14726283
2-(2-chloro-4-methylanilino)-1-phenylethanol
CID 55026534
2-(5-chloro-2-methylanilino)-1-phenylethanol
CID 60721635
4-chloro-2-ethyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 114093724

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one (CID 49225583) is 2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one is CC(C)(C)n1ncc(NCC(O)c2ccccc2)c(Cl)c1=O.
What is the InChIKey of 2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one?
The InChIKey is LNYPJERZNYYUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-16(2,3)20-15(22)14(17)12(9-19-20)18-10-13(21)11-7-5-4-6-8-11/h4-9,13,18,21H,10H2,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one?
2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one has a molecular weight of 321.81 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one is sourced from PubChem (CID 49225583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).