1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine

C19H26N8 — CID 126918445

About 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine

1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine (PubChem CID 126918445) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine.

Molecular Properties

• Compound Name: 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine
• PubChem CID: 126918445
• Molecular Formula: C19H26N8
• Molecular Weight: 366.47 g/mol
• Exact Mass: 366.23
• IUPAC Name: 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine
• SMILES: Cc1ccc2nnc(CN(C)C3CN(c4ccc(C(C)(C)C)nn4)C3)n2n1
• InChI: InChI=1S/C19H26N8/c1-13-6-8-17-22-23-18(27(17)24-13)12-25(5)14-10-26(11-14)16-9-7-15(20-21-16)19(2,3)4/h6-9,14H,10-12H2,1-5H3
• InChIKey: ZCROENJYPRRJDG-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 75.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.47
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine (CID 126918445) is 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine.

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

The canonical SMILES for 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine is Cc1ccc2nnc(CN(C)C3CN(c4ccc(C(C)(C)C)nn4)C3)n2n1.

What is the InChIKey of 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine?

The InChIKey is ZCROENJYPRRJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8/c1-13-6-8-17-22-23-18(27(17)24-13)12-25(5)14-10-26(11-14)16-9-7-15(20-21-16)19(2,3)4/h6-9,14H,10-12H2,1-5H3.

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

1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine has a molecular weight of 366.47 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 126918445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).