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

C23H16N6O — CID 7532602

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

N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 7532602) has the molecular formula C23H16N6O and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
• PubChem CID: 7532602
• Molecular Formula: C23H16N6O
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.14
• IUPAC Name: N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
• SMILES: O=C(Nc1ccc(-c2ccc3nnc(-c4ccccn4)n3n2)cc1)c1ccccc1
• InChI: InChI=1S/C23H16N6O/c30-23(17-6-2-1-3-7-17)25-18-11-9-16(10-12-18)19-13-14-21-26-27-22(29(21)28-19)20-8-4-5-15-24-20/h1-15H,(H,25,30)
• InChIKey: BRANUVMOUYMUCH-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 85.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 7532602) is N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

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

The canonical SMILES for N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is O=C(Nc1ccc(-c2ccc3nnc(-c4ccccn4)n3n2)cc1)c1ccccc1.

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

The InChIKey is BRANUVMOUYMUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O/c30-23(17-6-2-1-3-7-17)25-18-11-9-16(10-12-18)19-13-14-21-26-27-22(29(21)28-19)20-8-4-5-15-24-20/h1-15H,(H,25,30).

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

N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 392.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 7532602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).