5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one

C17H18ClN3O — CID 133271704

IUPAC5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one
SMILESO=c1c(Cl)c(N2CC3CCC2C3)cnn1Cc1ccccc1
InChIInChI=1S/C17H18ClN3O/c18-16-15(20-10-13-6-7-14(20)8-13)9-19-21(17(16)22)11-12-4-2-1-3-5-12/h1-5,9,13-14H,6-8,10-11H2
InChIKeyXOADWNDHSLWMOS-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.93
Rot. Bonds3

About 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one

5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one (PubChem CID 133271704) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one.

Molecular Properties

Compound Name5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one
PubChem CID133271704
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one
SMILESO=c1c(Cl)c(N2CC3CCC2C3)cnn1Cc1ccccc1
InChIInChI=1S/C17H18ClN3O/c18-16-15(20-10-13-6-7-14(20)8-13)9-19-21(17(16)22)11-12-4-2-1-3-5-12/h1-5,9,13-14H,6-8,10-11H2
InChIKeyXOADWNDHSLWMOS-UHFFFAOYSA-N
XLogP2.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-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-pyrrolidin-1-ylpyridazin-3-one
CID 779667
2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
CID 133306094
2-benzyl-4-chloro-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317765
2-benzyl-4-chloro-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one
CID 133431658
2-benzyl-4-chloro-5-[4-(2-fluoroanilino)piperidin-1-yl]pyridazin-3-one
CID 133330810
2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one
CID 11465223
5-(4-benzylpiperazin-1-yl)-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 19245547
2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol
CID 84771208
2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one
CID 133417909
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one
CID 19245497
5-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 71883492

Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one?
The IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one (CID 133271704) is 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one.
What is the SMILES notation for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one?
The canonical SMILES for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one is O=c1c(Cl)c(N2CC3CCC2C3)cnn1Cc1ccccc1.
What is the InChIKey of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one?
The InChIKey is XOADWNDHSLWMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-16-15(20-10-13-6-7-14(20)8-13)9-19-21(17(16)22)11-12-4-2-1-3-5-12/h1-5,9,13-14H,6-8,10-11H2.
What are the key properties of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one?
5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one has a molecular weight of 315.80 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one is sourced from PubChem (CID 133271704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).