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

C20H16ClN5O — CID 91893423

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

2-(3-chlorophenyl)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide (PubChem CID 91893423) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
• PubChem CID: 91893423
• Molecular Formula: C20H16ClN5O
• Molecular Weight: 377.84 g/mol
• Exact Mass: 377.10
• IUPAC Name: 2-(3-chlorophenyl)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
• SMILES: O=C(Cc1cccc(Cl)c1)NCc1nnc2ccc(-c3ccccc3)nn12
• InChI: InChI=1S/C20H16ClN5O/c21-16-8-4-5-14(11-16)12-20(27)22-13-19-24-23-18-10-9-17(25-26(18)19)15-6-2-1-3-7-15/h1-11H,12-13H2,(H,22,27)
• InChIKey: XZEFCBQKNNXTGZ-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.84
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(3-chlorophenyl)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide (CID 91893423) is 2-(3-chlorophenyl)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide.

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

The canonical SMILES for 2-(3-chlorophenyl)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide is O=C(Cc1cccc(Cl)c1)NCc1nnc2ccc(-c3ccccc3)nn12.

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

The InChIKey is XZEFCBQKNNXTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c21-16-8-4-5-14(11-16)12-20(27)22-13-19-24-23-18-10-9-17(25-26(18)19)15-6-2-1-3-7-15/h1-11H,12-13H2,(H,22,27).

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

2-(3-chlorophenyl)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide has a molecular weight of 377.84 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide is sourced from PubChem (CID 91893423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).