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

C25H19N7O2 — CID 121036941

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

4-acetamido-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 121036941) has the molecular formula C25H19N7O2 and a molecular weight of 449.47 g/mol. Its IUPAC name is 4-acetamido-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-acetamido-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
• PubChem CID: 121036941
• Molecular Formula: C25H19N7O2
• Molecular Weight: 449.47 g/mol
• Exact Mass: 449.16
• IUPAC Name: 4-acetamido-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
• SMILES: CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccc4nnc(-c5cccnc5)n4n3)cc2)cc1
• InChI: InChI=1S/C25H19N7O2/c1-16(33)27-20-10-6-18(7-11-20)25(34)28-21-8-4-17(5-9-21)22-12-13-23-29-30-24(32(23)31-22)19-3-2-14-26-15-19/h2-15H,1H3,(H,27,33)(H,28,34)
• InChIKey: CRWNQFOGIPOHMH-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 114.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.47
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-acetamido-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 121036941) is 4-acetamido-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

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

The canonical SMILES for 4-acetamido-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccc4nnc(-c5cccnc5)n4n3)cc2)cc1.

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

The InChIKey is CRWNQFOGIPOHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7O2/c1-16(33)27-20-10-6-18(7-11-20)25(34)28-21-8-4-17(5-9-21)22-12-13-23-29-30-24(32(23)31-22)19-3-2-14-26-15-19/h2-15H,1H3,(H,27,33)(H,28,34).

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

4-acetamido-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 449.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetamido-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 121036941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).