5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one

C16H18N2O2 — CID 70823086

IUPAC5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2cnn(C3CCCCO3)c(=O)c2)cc1
InChIInChI=1S/C16H18N2O2/c1-12-5-7-13(8-6-12)14-10-15(19)18(17-11-14)16-4-2-3-9-20-16/h5-8,10-11,16H,2-4,9H2,1H3
InChIKeyNMWRESPUZYOTPB-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.92
Rot. Bonds2

About 5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one

5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 70823086) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one
PubChem CID70823086
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2cnn(C3CCCCO3)c(=O)c2)cc1
InChIInChI=1S/C16H18N2O2/c1-12-5-7-13(8-6-12)14-10-15(19)18(17-11-14)16-4-2-3-9-20-16/h5-8,10-11,16H,2-4,9H2,1H3
InChIKeyNMWRESPUZYOTPB-UHFFFAOYSA-N
XLogP2.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-methylphenyl)-2-(oxan-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one (CID 70823086) is 5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one is Cc1ccc(-c2cnn(C3CCCCO3)c(=O)c2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is NMWRESPUZYOTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-5-7-13(8-6-12)14-10-15(19)18(17-11-14)16-4-2-3-9-20-16/h5-8,10-11,16H,2-4,9H2,1H3.
What are the key properties of 5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one?
5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 270.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 70823086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).