5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole

C16H20N6OS — CID 126911660

IUPAC5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc2nnc(C3CCN(Cc4cnc(C)s4)CC3)n2n1
InChIInChI=1S/C16H20N6OS/c1-11-17-9-13(24-11)10-21-7-5-12(6-8-21)16-19-18-14-3-4-15(23-2)20-22(14)16/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyNQFQXUQMOMZXIB-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.28
Rot. Bonds4

About 5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole

5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 126911660) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID126911660
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc2nnc(C3CCN(Cc4cnc(C)s4)CC3)n2n1
InChIInChI=1S/C16H20N6OS/c1-11-17-9-13(24-11)10-21-7-5-12(6-8-21)16-19-18-14-3-4-15(23-2)20-22(14)16/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyNQFQXUQMOMZXIB-UHFFFAOYSA-N
XLogP2.28
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 126911660) is 5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole is COc1ccc2nnc(C3CCN(Cc4cnc(C)s4)CC3)n2n1.
What is the InChIKey of 5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is NQFQXUQMOMZXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-11-17-9-13(24-11)10-21-7-5-12(6-8-21)16-19-18-14-3-4-15(23-2)20-22(14)16/h3-4,9,12H,5-8,10H2,1-2H3.
What are the key properties of 5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 344.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 126911660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).