3-benzylindeno[1,2-c]pyridazin-5-one

C18H12N2O — CID 10423365

IUPAC3-benzylindeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(Cc3ccccc3)cc21
InChIInChI=1S/C18H12N2O/c21-18-15-9-5-4-8-14(15)17-16(18)11-13(19-20-17)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyRJTWQOKLTDFVPE-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.28
Rot. Bonds2

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

3-benzylindeno[1,2-c]pyridazin-5-one (PubChem CID 10423365) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-benzylindeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-benzylindeno[1,2-c]pyridazin-5-one
PubChem CID10423365
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name3-benzylindeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(Cc3ccccc3)cc21
InChIInChI=1S/C18H12N2O/c21-18-15-9-5-4-8-14(15)17-16(18)11-13(19-20-17)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyRJTWQOKLTDFVPE-UHFFFAOYSA-N
XLogP3.28
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzylindeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-benzylindeno[1,2-c]pyridazin-5-one (CID 10423365) is 3-benzylindeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-benzylindeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-benzylindeno[1,2-c]pyridazin-5-one is O=C1c2ccccc2-c2nnc(Cc3ccccc3)cc21.
What is the InChIKey of 3-benzylindeno[1,2-c]pyridazin-5-one?
The InChIKey is RJTWQOKLTDFVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c21-18-15-9-5-4-8-14(15)17-16(18)11-13(19-20-17)10-12-6-2-1-3-7-12/h1-9,11H,10H2.
What are the key properties of 3-benzylindeno[1,2-c]pyridazin-5-one?
3-benzylindeno[1,2-c]pyridazin-5-one has a molecular weight of 272.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylindeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 10423365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).