N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

C18H21N7OS — CID 126922127

About N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 126922127) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
• PubChem CID: 126922127
• Molecular Formula: C18H21N7OS
• Molecular Weight: 383.48 g/mol
• Exact Mass: 383.15
• IUPAC Name: N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1ncsc1C(=O)N(C)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1
• InChI: InChI=1S/C18H21N7OS/c1-11-16(27-10-19-11)18(26)23(2)13-8-24(9-13)15-7-6-14-20-21-17(25(14)22-15)12-4-3-5-12/h6-7,10,12-13H,3-5,8-9H2,1-2H3
• InChIKey: LMZLCHYZQVDGGQ-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 79.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.48
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 126922127) is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1.

What is the InChIKey of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?

The InChIKey is LMZLCHYZQVDGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-11-16(27-10-19-11)18(26)23(2)13-8-24(9-13)15-7-6-14-20-21-17(25(14)22-15)12-4-3-5-12/h6-7,10,12-13H,3-5,8-9H2,1-2H3.

What are the key properties of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126922127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).