3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide

C24H16N6O2 — CID 143710833

About 3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide

3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 143710833) has the molecular formula C24H16N6O2 and a molecular weight of 420.43 g/mol. Its IUPAC name is 3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
• PubChem CID: 143710833
• Molecular Formula: C24H16N6O2
• Molecular Weight: 420.43 g/mol
• Exact Mass: 420.13
• IUPAC Name: 3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
• SMILES: O=Nc1cccc(C(=O)Nc2cccc(-c3ccc4nnc(-c5ccccc5)n4n3)c2)c1
• InChI: InChI=1S/C24H16N6O2/c31-24(18-9-5-11-20(15-18)29-32)25-19-10-4-8-17(14-19)21-12-13-22-26-27-23(30(22)28-21)16-6-2-1-3-7-16/h1-15H,(H,25,31)
• InChIKey: JIDQYVMRIDBIPE-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 101.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.43
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?

The IUPAC name of 3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 143710833) is 3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

What is the SMILES notation for 3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?

The canonical SMILES for 3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is O=Nc1cccc(C(=O)Nc2cccc(-c3ccc4nnc(-c5ccccc5)n4n3)c2)c1.

What is the InChIKey of 3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?

The InChIKey is JIDQYVMRIDBIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6O2/c31-24(18-9-5-11-20(15-18)29-32)25-19-10-4-8-17(14-19)21-12-13-22-26-27-23(30(22)28-21)16-6-2-1-3-7-16/h1-15H,(H,25,31).

What are the key properties of 3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?

3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 420.43 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 143710833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).