N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine

C16H22N6O — CID 126922094

IUPACN-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine
SMILESc1cc2nnc(C3CCC3)n2nc1N1CC(CNC2COC2)C1
InChIInChI=1S/C16H22N6O/c1-2-12(3-1)16-19-18-14-4-5-15(20-22(14)16)21-7-11(8-21)6-17-13-9-23-10-13/h4-5,11-13,17H,1-3,6-10H2
InChIKeyVHHIUYXOVJXCNB-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.82
Rot. Bonds5

About N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine

N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine (PubChem CID 126922094) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine
PubChem CID126922094
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine
SMILESc1cc2nnc(C3CCC3)n2nc1N1CC(CNC2COC2)C1
InChIInChI=1S/C16H22N6O/c1-2-12(3-1)16-19-18-14-4-5-15(20-22(14)16)21-7-11(8-21)6-17-13-9-23-10-13/h4-5,11-13,17H,1-3,6-10H2
InChIKeyVHHIUYXOVJXCNB-UHFFFAOYSA-N
XLogP0.82
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]cyclohexan-1-ol
CID 126922083
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1-cyclopropylethanamine
CID 126922055
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine
CID 126922071
1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 126922061
1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine
CID 126922056
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidin-4-amine
CID 126922070
1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine
CID 126921642
N-(cyclobutylmethyl)-1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methylazetidin-3-amine
CID 126922316
N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 126921588
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 126921971
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126921987
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 126921969

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]methyl]oxetan-3-amine?
The IUPAC name of N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine (CID 126922094) is N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine.
What is the SMILES notation for N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine?
The canonical SMILES for N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine is c1cc2nnc(C3CCC3)n2nc1N1CC(CNC2COC2)C1.
What is the InChIKey of N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine?
The InChIKey is VHHIUYXOVJXCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-2-12(3-1)16-19-18-14-4-5-15(20-22(14)16)21-7-11(8-21)6-17-13-9-23-10-13/h4-5,11-13,17H,1-3,6-10H2.
What are the key properties of N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine?
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine has a molecular weight of 314.39 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]methyl]oxetan-3-amine is sourced from PubChem (CID 126922094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).