N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine

C21H28N8 — CID 126923016

IUPACN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine
SMILESCN(c1ccnc(C2CCC2)n1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1
InChIInChI=1S/C21H28N8/c1-21(2,3)20-25-24-17-8-9-18(26-29(17)20)28-12-15(13-28)27(4)16-10-11-22-19(23-16)14-6-5-7-14/h8-11,14-15H,5-7,12-13H2,1-4H3
InChIKeyZSONTNSULWWGGB-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.80
Rot. Bonds4

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

N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine (PubChem CID 126923016) has the molecular formula C21H28N8 and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine
PubChem CID126923016
Molecular FormulaC21H28N8
Molecular Weight392.51 g/mol
Exact Mass392.24
IUPAC NameN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine
SMILESCN(c1ccnc(C2CCC2)n1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1
InChIInChI=1S/C21H28N8/c1-21(2,3)20-25-24-17-8-9-18(26-29(17)20)28-12-15(13-28)27(4)16-10-11-22-19(23-16)14-6-5-7-14/h8-11,14-15H,5-7,12-13H2,1-4H3
InChIKeyZSONTNSULWWGGB-UHFFFAOYSA-N
XLogP2.80
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine with MolForge

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Related Compounds

N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 126922991
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2-cyclobutylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine
CID 126922870
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 126918387
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126922761
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
CID 126922829
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2-methoxypyrimidin-4-yl)methyl]-N-methylazetidin-3-amine
CID 126922873
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 126923012
2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol
CID 126923036
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126922209
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyltriazol-4-yl)methyl]azetidin-3-amine
CID 126922835
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylpyrimidin-2-amine
CID 126922171
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine
CID 126923078

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine (CID 126923016) is N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine is CN(c1ccnc(C2CCC2)n1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1.
What is the InChIKey of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine?
The InChIKey is ZSONTNSULWWGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8/c1-21(2,3)20-25-24-17-8-9-18(26-29(17)20)28-12-15(13-28)27(4)16-10-11-22-19(23-16)14-6-5-7-14/h8-11,14-15H,5-7,12-13H2,1-4H3.
What are the key properties of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine?
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine has a molecular weight of 392.51 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 126923016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).