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

C26H21N5O — CID 7532343

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

N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,2-diphenylacetamide (PubChem CID 7532343) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,2-diphenylacetamide
• PubChem CID: 7532343
• Molecular Formula: C26H21N5O
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.17
• IUPAC Name: N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,2-diphenylacetamide
• SMILES: Cc1nnc2ccc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)nn12
• InChI: InChI=1S/C26H21N5O/c1-18-28-29-24-17-16-23(30-31(18)24)19-12-14-22(15-13-19)27-26(32)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17,25H,1H3,(H,27,32)
• InChIKey: XGDXJMXRXIJCIQ-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,2-diphenylacetamide (CID 7532343) is N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,2-diphenylacetamide.

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

The canonical SMILES for N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,2-diphenylacetamide is Cc1nnc2ccc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)nn12.

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

The InChIKey is XGDXJMXRXIJCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c1-18-28-29-24-17-16-23(30-31(18)24)19-12-14-22(15-13-19)27-26(32)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17,25H,1H3,(H,27,32).

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

N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,2-diphenylacetamide has a molecular weight of 419.49 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 7532343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).