1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone

C19H29N7O2 — CID 133489042

About 1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 133489042) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone
• PubChem CID: 133489042
• Molecular Formula: C19H29N7O2
• Molecular Weight: 387.49 g/mol
• Exact Mass: 387.24
• IUPAC Name: 1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone
• SMILES: CC(C)(C)c1nnc2ccc(N3CCN(C(=O)CN4CCOCC4)CC3)nn12
• InChI: InChI=1S/C19H29N7O2/c1-19(2,3)18-21-20-15-4-5-16(22-26(15)18)24-6-8-25(9-7-24)17(27)14-23-10-12-28-13-11-23/h4-5H,6-14H2,1-3H3
• InChIKey: LRLZNVVNAOIFER-UHFFFAOYSA-N
• XLogP: 0.40
• TPSA: 79.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.49
LogP ≤ 5	0.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone?

The IUPAC name of 1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone (CID 133489042) is 1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone.

What is the SMILES notation for 1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone?

The canonical SMILES for 1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone is CC(C)(C)c1nnc2ccc(N3CCN(C(=O)CN4CCOCC4)CC3)nn12.

What is the InChIKey of 1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone?

The InChIKey is LRLZNVVNAOIFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-19(2,3)18-21-20-15-4-5-16(22-26(15)18)24-6-8-25(9-7-24)17(27)14-23-10-12-28-13-11-23/h4-5H,6-14H2,1-3H3.

What are the key properties of 1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone?

1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 387.49 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 133489042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).