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

C18H12N2O — CID 6404473

IUPAC3-(3-methylphenyl)indeno[1,2-c]pyridazin-5-one
SMILESCc1cccc(-c2cc3c(nn2)-c2ccccc2C3=O)c1
InChIInChI=1S/C18H12N2O/c1-11-5-4-6-12(9-11)16-10-15-17(20-19-16)13-7-2-3-8-14(13)18(15)21/h2-10H,1H3
InChIKeyYGLRJOGUBPRKFR-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.66
Rot. Bonds1

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

3-(3-methylphenyl)indeno[1,2-c]pyridazin-5-one (PubChem CID 6404473) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-(3-methylphenyl)indeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-(3-methylphenyl)indeno[1,2-c]pyridazin-5-one
PubChem CID6404473
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name3-(3-methylphenyl)indeno[1,2-c]pyridazin-5-one
SMILESCc1cccc(-c2cc3c(nn2)-c2ccccc2C3=O)c1
InChIInChI=1S/C18H12N2O/c1-11-5-4-6-12(9-11)16-10-15-17(20-19-16)13-7-2-3-8-14(13)18(15)21/h2-10H,1H3
InChIKeyYGLRJOGUBPRKFR-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)indeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-(3-methylphenyl)indeno[1,2-c]pyridazin-5-one (CID 6404473) is 3-(3-methylphenyl)indeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-(3-methylphenyl)indeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-(3-methylphenyl)indeno[1,2-c]pyridazin-5-one is Cc1cccc(-c2cc3c(nn2)-c2ccccc2C3=O)c1.
What is the InChIKey of 3-(3-methylphenyl)indeno[1,2-c]pyridazin-5-one?
The InChIKey is YGLRJOGUBPRKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c1-11-5-4-6-12(9-11)16-10-15-17(20-19-16)13-7-2-3-8-14(13)18(15)21/h2-10H,1H3.
What are the key properties of 3-(3-methylphenyl)indeno[1,2-c]pyridazin-5-one?
3-(3-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-(3-methylphenyl)indeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 6404473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).