5,10-di(pyridazin-4-yl)benzo[g]isoquinoline

C21H13N5 — CID 59183141

IUPAC5,10-di(pyridazin-4-yl)benzo[g]isoquinoline
SMILESc1ccc2c(-c3ccnnc3)c3cnccc3c(-c3ccnnc3)c2c1
InChIInChI=1S/C21H13N5/c1-2-4-17-16(3-1)20(14-5-9-23-25-11-14)18-7-8-22-13-19(18)21(17)15-6-10-24-26-12-15/h1-13H
InChIKeyCHPLFJYMJZUYDL-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.30
Rot. Bonds2

About 5,10-di(pyridazin-4-yl)benzo[g]isoquinoline

5,10-di(pyridazin-4-yl)benzo[g]isoquinoline (PubChem CID 59183141) has the molecular formula C21H13N5 and a molecular weight of 335.37 g/mol. Its IUPAC name is 5,10-di(pyridazin-4-yl)benzo[g]isoquinoline.

Molecular Properties

Compound Name5,10-di(pyridazin-4-yl)benzo[g]isoquinoline
PubChem CID59183141
Molecular FormulaC21H13N5
Molecular Weight335.37 g/mol
Exact Mass335.12
IUPAC Name5,10-di(pyridazin-4-yl)benzo[g]isoquinoline
SMILESc1ccc2c(-c3ccnnc3)c3cnccc3c(-c3ccnnc3)c2c1
InChIInChI=1S/C21H13N5/c1-2-4-17-16(3-1)20(14-5-9-23-25-11-14)18-7-8-22-13-19(18)21(17)15-6-10-24-26-12-15/h1-13H
InChIKeyCHPLFJYMJZUYDL-UHFFFAOYSA-N
XLogP4.30
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,10-di(pyridazin-4-yl)benzo[g]isoquinoline?
The IUPAC name of 5,10-di(pyridazin-4-yl)benzo[g]isoquinoline (CID 59183141) is 5,10-di(pyridazin-4-yl)benzo[g]isoquinoline.
What is the SMILES notation for 5,10-di(pyridazin-4-yl)benzo[g]isoquinoline?
The canonical SMILES for 5,10-di(pyridazin-4-yl)benzo[g]isoquinoline is c1ccc2c(-c3ccnnc3)c3cnccc3c(-c3ccnnc3)c2c1.
What is the InChIKey of 5,10-di(pyridazin-4-yl)benzo[g]isoquinoline?
The InChIKey is CHPLFJYMJZUYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5/c1-2-4-17-16(3-1)20(14-5-9-23-25-11-14)18-7-8-22-13-19(18)21(17)15-6-10-24-26-12-15/h1-13H.
What are the key properties of 5,10-di(pyridazin-4-yl)benzo[g]isoquinoline?
5,10-di(pyridazin-4-yl)benzo[g]isoquinoline has a molecular weight of 335.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-di(pyridazin-4-yl)benzo[g]isoquinoline is sourced from PubChem (CID 59183141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).