3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one

C19H24N8O — CID 126922232

IUPAC3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one
SMILESCN(Cc1nccn(C)c1=O)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1
InChIInChI=1S/C19H24N8O/c1-24-9-8-20-15(19(24)28)12-25(2)14-10-26(11-14)17-7-6-16-21-22-18(27(16)23-17)13-4-3-5-13/h6-9,13-14H,3-5,10-12H2,1-2H3
InChIKeyJTNKUBYNAMNRAC-UHFFFAOYSA-N
MW380.46 g/mol
LogP0.81
Rot. Bonds5

About 3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one

3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one (PubChem CID 126922232) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one
PubChem CID126922232
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one
SMILESCN(Cc1nccn(C)c1=O)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1
InChIInChI=1S/C19H24N8O/c1-24-9-8-20-15(19(24)28)12-25(2)14-10-26(11-14)17-7-6-16-21-22-18(27(16)23-17)13-4-3-5-13/h6-9,13-14H,3-5,10-12H2,1-2H3
InChIKeyJTNKUBYNAMNRAC-UHFFFAOYSA-N
XLogP0.81
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one with MolForge

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Related Compounds

1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-amine
CID 126922271
N-(cyclobutylmethyl)-1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methylazetidin-3-amine
CID 126922316
6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one
CID 126921823
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine
CID 126921842
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylpyrimidin-2-amine
CID 126922171
3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one
CID 126922244
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylethanesulfonamide
CID 134161090
1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
CID 126912387
7-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]azepan-2-one
CID 126922222
6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpiperidin-2-one
CID 126921814
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine
CID 126922324
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,3-dimethylpyrazin-2-amine
CID 126922208

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one (CID 126922232) is 3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one is CN(Cc1nccn(C)c1=O)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1.
What is the InChIKey of 3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one?
The InChIKey is JTNKUBYNAMNRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-24-9-8-20-15(19(24)28)12-25(2)14-10-26(11-14)17-7-6-16-21-22-18(27(16)23-17)13-4-3-5-13/h6-9,13-14H,3-5,10-12H2,1-2H3.
What are the key properties of 3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one?
3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one has a molecular weight of 380.46 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one is sourced from PubChem (CID 126922232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).