1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine

C16H20N8S — CID 126922056

About 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine

1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine (PubChem CID 126922056) has the molecular formula C16H20N8S and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine.

Molecular Properties

• Compound Name: 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine
• PubChem CID: 126922056
• Molecular Formula: C16H20N8S
• Molecular Weight: 356.46 g/mol
• Exact Mass: 356.15
• IUPAC Name: 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine
• SMILES: c1snnc1CNCC1CN(c2ccc3nnc(C4CCC4)n3n2)C1
• InChI: InChI=1S/C16H20N8S/c1-2-12(3-1)16-20-19-14-4-5-15(21-24(14)16)23-8-11(9-23)6-17-7-13-10-25-22-18-13/h4-5,10-12,17H,1-3,6-9H2
• InChIKey: GUWVGTKKYCKMKX-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 84.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.46
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine?

The IUPAC name of 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine (CID 126922056) is 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine.

What is the SMILES notation for 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine?

The canonical SMILES for 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine is c1snnc1CNCC1CN(c2ccc3nnc(C4CCC4)n3n2)C1.

What is the InChIKey of 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine?

The InChIKey is GUWVGTKKYCKMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8S/c1-2-12(3-1)16-20-19-14-4-5-15(21-24(14)16)23-8-11(9-23)6-17-7-13-10-25-22-18-13/h4-5,10-12,17H,1-3,6-9H2.

What are the key properties of 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine?

1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine has a molecular weight of 356.46 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 126922056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).