3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one

C21H12N2O — CID 10335421

IUPAC3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C21H12N2O/c24-21-17-10-4-3-9-16(17)20-18(21)12-19(22-23-20)15-11-5-7-13-6-1-2-8-14(13)15/h1-12H
InChIKeySEZLRTFBPWITRL-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.51
Rot. Bonds1

About 3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one

3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one (PubChem CID 10335421) has the molecular formula C21H12N2O and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one
PubChem CID10335421
Molecular FormulaC21H12N2O
Molecular Weight308.34 g/mol
Exact Mass308.09
IUPAC Name3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C21H12N2O/c24-21-17-10-4-3-9-16(17)20-18(21)12-19(22-23-20)15-11-5-7-13-6-1-2-8-14(13)15/h1-12H
InChIKeySEZLRTFBPWITRL-UHFFFAOYSA-N
XLogP4.51
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-naphthalen-1-ylindeno[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

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one (CID 10335421) is 3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one is O=C1c2ccccc2-c2nnc(-c3cccc4ccccc34)cc21.
What is the InChIKey of 3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one?
The InChIKey is SEZLRTFBPWITRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O/c24-21-17-10-4-3-9-16(17)20-18(21)12-19(22-23-20)15-11-5-7-13-6-1-2-8-14(13)15/h1-12H.
What are the key properties of 3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one?
3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one has a molecular weight of 308.34 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 10335421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).