1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C16H20N8O — CID 120861098

IUPAC1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(C3CCN(c4ccc5nncn5n4)CC3)n2)CCC1
InChIInChI=1S/C16H20N8O/c17-16(6-1-7-16)15-19-14(25-22-15)11-4-8-23(9-5-11)13-3-2-12-20-18-10-24(12)21-13/h2-3,10-11H,1,4-9,17H2
InChIKeyAFDWOHXBCCPUGZ-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.23
Rot. Bonds3

About 1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120861098) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120861098
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(C3CCN(c4ccc5nncn5n4)CC3)n2)CCC1
InChIInChI=1S/C16H20N8O/c17-16(6-1-7-16)15-19-14(25-22-15)11-4-8-23(9-5-11)13-3-2-12-20-18-10-24(12)21-13/h2-3,10-11H,1,4-9,17H2
InChIKeyAFDWOHXBCCPUGZ-UHFFFAOYSA-N
XLogP1.23
TPSA111.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120861098) is 1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(C3CCN(c4ccc5nncn5n4)CC3)n2)CCC1.
What is the InChIKey of 1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is AFDWOHXBCCPUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c17-16(6-1-7-16)15-19-14(25-22-15)11-4-8-23(9-5-11)13-3-2-12-20-18-10-24(12)21-13/h2-3,10-11H,1,4-9,17H2.
What are the key properties of 1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 340.39 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120861098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).