6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

C18H25N5OS — CID 126927876

About 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927876) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
• PubChem CID: 126927876
• Molecular Formula: C18H25N5OS
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.18
• IUPAC Name: 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
• SMILES: CC(C)(C)c1ccc(=O)n(CC2CN(Cc3nnc(C4CC4)s3)C2)n1
• InChI: InChI=1S/C18H25N5OS/c1-18(2,3)14-6-7-16(24)23(21-14)10-12-8-22(9-12)11-15-19-20-17(25-15)13-4-5-13/h6-7,12-13H,4-5,8-11H2,1-3H3
• InChIKey: SDWXDNPRNXZFGY-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 63.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.50
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?

The IUPAC name of 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126927876) is 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.

What is the SMILES notation for 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?

The canonical SMILES for 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CN(Cc3nnc(C4CC4)s3)C2)n1.

What is the InChIKey of 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?

The InChIKey is SDWXDNPRNXZFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-18(2,3)14-6-7-16(24)23(21-14)10-12-8-22(9-12)11-15-19-20-17(25-15)13-4-5-13/h6-7,12-13H,4-5,8-11H2,1-3H3.

What are the key properties of 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?

6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 359.50 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).