3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one

C18H12N2O — CID 2769183

IUPAC3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one
SMILESCc1ccccc1-c1cc2c(nn1)-c1ccccc1C2=O
InChIInChI=1S/C18H12N2O/c1-11-6-2-3-7-12(11)16-10-15-17(20-19-16)13-8-4-5-9-14(13)18(15)21/h2-10H,1H3
InChIKeyKKPUXQRFWHNBLA-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.66
Rot. Bonds1

About 3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one

3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one (PubChem CID 2769183) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one
PubChem CID2769183
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one
SMILESCc1ccccc1-c1cc2c(nn1)-c1ccccc1C2=O
InChIInChI=1S/C18H12N2O/c1-11-6-2-3-7-12(11)16-10-15-17(20-19-16)13-8-4-5-9-14(13)18(15)21/h2-10H,1H3
InChIKeyKKPUXQRFWHNBLA-UHFFFAOYSA-N
XLogP3.66
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

Analyze 3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-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

3-Methyl-5H-indeno[1,2-c]pyridazin-5-one
CID 379341
3-Phenyl-5H-indeno[1,2-c]pyridazin-5-one
CID 379337
3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2767330
3-(2-nitrophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 10357601
4-phenyl-5H-indeno[1,2-c]pyridazin-5-one
CID 10106561
3-(4-Chlorophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 379339
3-(4-nitrophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 379340
3-(4-fluorophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2765447
3-(4-bromophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2767328
3-(3-chlorophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2767331
3-(3-bromophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2834140
3-(3-(trifluoromethyl)phenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 6404472

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one (CID 2769183) is 3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one is Cc1ccccc1-c1cc2c(nn1)-c1ccccc1C2=O.
What is the InChIKey of 3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one?
The InChIKey is KKPUXQRFWHNBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c1-11-6-2-3-7-12(11)16-10-15-17(20-19-16)13-8-4-5-9-14(13)18(15)21/h2-10H,1H3.
What are the key properties of 3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one?
3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one has a molecular weight of 272.31 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)indeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 2769183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).