3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one

C17H15N3O — CID 2811840

IUPAC3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one
SMILESCc1ccc(-c2cc(Cc3ccccn3)c(=O)[nH]n2)cc1
InChIInChI=1S/C17H15N3O/c1-12-5-7-13(8-6-12)16-11-14(17(21)20-19-16)10-15-4-2-3-9-18-15/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyGKGWXHAPCTUVGT-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.73
Rot. Bonds3

About 3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one

3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one (PubChem CID 2811840) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one
PubChem CID2811840
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one
SMILESCc1ccc(-c2cc(Cc3ccccn3)c(=O)[nH]n2)cc1
InChIInChI=1S/C17H15N3O/c1-12-5-7-13(8-6-12)16-11-14(17(21)20-19-16)10-15-4-2-3-9-18-15/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyGKGWXHAPCTUVGT-UHFFFAOYSA-N
XLogP2.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-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

5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445428
5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one
CID 82445397
5-methyl-2-(pyridin-2-ylmethyl)benzoic acid
CID 81111725
5-[(6-methyl-2-methylsulfanylquinolin-3-yl)methyl]-3-phenyl-1H-pyridazin-6-one
CID 155806296
5-(butylaminomethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445436
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one
CID 82446530
5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445462
3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one
CID 53418846
3-phenyl-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445383
2-(4-methylphenyl)pyridine;silver
CID 121395993
3-(4-fluorophenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one
CID 82445694

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one (CID 2811840) is 3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one is Cc1ccc(-c2cc(Cc3ccccn3)c(=O)[nH]n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one?
The InChIKey is GKGWXHAPCTUVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-5-7-13(8-6-12)16-11-14(17(21)20-19-16)10-15-4-2-3-9-18-15/h2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one?
3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one has a molecular weight of 277.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 2811840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).