2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one

C21H22ClN3O2 — CID 67917856

IUPAC2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one
SMILESO=c1c(N(CCCO)Cc2ccccc2)c(Cl)cnn1Cc1ccccc1
InChIInChI=1S/C21H22ClN3O2/c22-19-14-23-25(16-18-10-5-2-6-11-18)21(27)20(19)24(12-7-13-26)15-17-8-3-1-4-9-17/h1-6,8-11,14,26H,7,12-13,15-16H2
InChIKeyBEYHRIDUJFRQMO-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.33
Rot. Bonds8

About 2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one

2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one (PubChem CID 67917856) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one
PubChem CID67917856
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one
SMILESO=c1c(N(CCCO)Cc2ccccc2)c(Cl)cnn1Cc1ccccc1
InChIInChI=1S/C21H22ClN3O2/c22-19-14-23-25(16-18-10-5-2-6-11-18)21(27)20(19)24(12-7-13-26)15-17-8-3-1-4-9-17/h1-6,8-11,14,26H,7,12-13,15-16H2
InChIKeyBEYHRIDUJFRQMO-UHFFFAOYSA-N
XLogP3.33
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-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

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one?
The IUPAC name of 2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one (CID 67917856) is 2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one?
The canonical SMILES for 2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one is O=c1c(N(CCCO)Cc2ccccc2)c(Cl)cnn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one?
The InChIKey is BEYHRIDUJFRQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-19-14-23-25(16-18-10-5-2-6-11-18)21(27)20(19)24(12-7-13-26)15-17-8-3-1-4-9-17/h1-6,8-11,14,26H,7,12-13,15-16H2.
What are the key properties of 2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one?
2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one has a molecular weight of 383.88 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one is sourced from PubChem (CID 67917856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).