N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide

C24H26N6O2 — CID 43957619

About N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide

N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide (PubChem CID 43957619) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide
• PubChem CID: 43957619
• Molecular Formula: C24H26N6O2
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.21
• IUPAC Name: N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide
• SMILES: COc1ccc(CCNc2ccc3nnc(CCNC(=O)c4cccc(C)c4)n3n2)cc1
• InChI: InChI=1S/C24H26N6O2/c1-17-4-3-5-19(16-17)24(31)26-15-13-23-28-27-22-11-10-21(29-30(22)23)25-14-12-18-6-8-20(32-2)9-7-18/h3-11,16H,12-15H2,1-2H3,(H,25,29)(H,26,31)
• InChIKey: OIXXQGGHEUBXEC-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 93.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide?

The IUPAC name of N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide (CID 43957619) is N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide.

What is the SMILES notation for N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide?

The canonical SMILES for N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide is COc1ccc(CCNc2ccc3nnc(CCNC(=O)c4cccc(C)c4)n3n2)cc1.

What is the InChIKey of N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide?

The InChIKey is OIXXQGGHEUBXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-17-4-3-5-19(16-17)24(31)26-15-13-23-28-27-22-11-10-21(29-30(22)23)25-14-12-18-6-8-20(32-2)9-7-18/h3-11,16H,12-15H2,1-2H3,(H,25,29)(H,26,31).

What are the key properties of N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide?

N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide has a molecular weight of 430.51 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 43957619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).