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

C25H21N7O — CID 16873163

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

4-(dimethylamino)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 16873163) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
• PubChem CID: 16873163
• Molecular Formula: C25H21N7O
• Molecular Weight: 435.49 g/mol
• Exact Mass: 435.18
• IUPAC Name: 4-(dimethylamino)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
• SMILES: CN(C)c1ccc(C(=O)Nc2ccc(-c3ccc4nnc(-c5cccnc5)n4n3)cc2)cc1
• InChI: InChI=1S/C25H21N7O/c1-31(2)21-11-7-18(8-12-21)25(33)27-20-9-5-17(6-10-20)22-13-14-23-28-29-24(32(23)30-22)19-4-3-15-26-16-19/h3-16H,1-2H3,(H,27,33)
• InChIKey: JXKYYLHOIUDLNT-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 88.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.49
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-(dimethylamino)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 16873163) is 4-(dimethylamino)-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-(dimethylamino)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?

The canonical SMILES for 4-(dimethylamino)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is CN(C)c1ccc(C(=O)Nc2ccc(-c3ccc4nnc(-c5cccnc5)n4n3)cc2)cc1.

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

The InChIKey is JXKYYLHOIUDLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c1-31(2)21-11-7-18(8-12-21)25(33)27-20-9-5-17(6-10-20)22-13-14-23-28-29-24(32(23)30-22)19-4-3-15-26-16-19/h3-16H,1-2H3,(H,27,33).

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

4-(dimethylamino)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 435.49 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 16873163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).