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

C17H21N7S — CID 126922363

IUPACN-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1csc(N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)n1
InChIInChI=1S/C17H21N7S/c1-11-10-25-17(18-11)22(2)13-8-23(9-13)15-7-6-14-19-20-16(24(14)21-15)12-4-3-5-12/h6-7,10,12-13H,3-5,8-9H2,1-2H3
InChIKeyVRAXWYLYRDSJQD-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.48
Rot. Bonds4

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

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 126922363) has the molecular formula C17H21N7S and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID126922363
Molecular FormulaC17H21N7S
Molecular Weight355.47 g/mol
Exact Mass355.16
IUPAC NameN-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1csc(N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)n1
InChIInChI=1S/C17H21N7S/c1-11-10-25-17(18-11)22(2)13-8-23(9-13)15-7-6-14-19-20-16(24(14)21-15)12-4-3-5-12/h6-7,10,12-13H,3-5,8-9H2,1-2H3
InChIKeyVRAXWYLYRDSJQD-UHFFFAOYSA-N
XLogP2.48
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,4-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3-thiazol-2-amine
CID 126921508
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 126922204
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126922209
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-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,3-dimethylpyrazin-2-amine
CID 126922208
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]-N,4-dimethylpyrimidin-2-amine
CID 126921798
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethylpyrazin-2-amine
CID 126921801
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 126917647
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 134161451
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylethanesulfonamide
CID 134161090
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 126922338

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]-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 126922363) is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine is Cc1csc(N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)n1.
What is the InChIKey of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is VRAXWYLYRDSJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7S/c1-11-10-25-17(18-11)22(2)13-8-23(9-13)15-7-6-14-19-20-16(24(14)21-15)12-4-3-5-12/h6-7,10,12-13H,3-5,8-9H2,1-2H3.
What are the key properties of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine?
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 355.47 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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]-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126922363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).