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

C20H26N8O — CID 126922244

IUPAC3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCN(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)cn1
InChIInChI=1S/C20H26N8O/c1-14-10-19(29)26(13-21-14)9-8-25(2)16-11-27(12-16)18-7-6-17-22-23-20(28(17)24-18)15-4-3-5-15/h6-7,10,13,15-16H,3-5,8-9,11-12H2,1-2H3
InChIKeyGDJDLUMIFZFVGB-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.08
Rot. Bonds6

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

3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one (PubChem CID 126922244) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one
PubChem CID126922244
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCN(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)cn1
InChIInChI=1S/C20H26N8O/c1-14-10-19(29)26(13-21-14)9-8-25(2)16-11-27(12-16)18-7-6-17-22-23-20(28(17)24-18)15-4-3-5-15/h6-7,10,13,15-16H,3-5,8-9,11-12H2,1-2H3
InChIKeyGDJDLUMIFZFVGB-UHFFFAOYSA-N
XLogP1.08
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one
CID 126921830
N-(cyclobutylmethyl)-1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methylazetidin-3-amine
CID 126922316
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126922209
7-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]azepan-2-one
CID 126922222
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
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylethanesulfonamide
CID 134161090
6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one
CID 126919705
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylpyrimidin-2-amine
CID 126922171
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
6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one
CID 126910207
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 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) is 3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(CCN(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)cn1.
What is the InChIKey of 3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one?
The InChIKey is GDJDLUMIFZFVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O/c1-14-10-19(29)26(13-21-14)9-8-25(2)16-11-27(12-16)18-7-6-17-22-23-20(28(17)24-18)15-4-3-5-15/h6-7,10,13,15-16H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one?
3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one has a molecular weight of 394.48 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 126922244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).