N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine

C17H17F3N8 — CID 126921759

IUPACN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(c1nccc(C(F)(F)F)n1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C17H17F3N8/c1-26(16-21-7-6-12(22-16)17(18,19)20)11-8-27(9-11)14-5-4-13-23-24-15(10-2-3-10)28(13)25-14/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyWPPIQXGYPSMGBY-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.14
Rot. Bonds4

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

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 126921759) has the molecular formula C17H17F3N8 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID126921759
Molecular FormulaC17H17F3N8
Molecular Weight390.37 g/mol
Exact Mass390.15
IUPAC NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(c1nccc(C(F)(F)F)n1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C17H17F3N8/c1-26(16-21-7-6-12(22-16)17(18,19)20)11-8-27(9-11)14-5-4-13-23-24-15(10-2-3-10)28(13)25-14/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyWPPIQXGYPSMGBY-UHFFFAOYSA-N
XLogP2.14
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 171997704
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-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
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-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 134161451
3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile
CID 126921747
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-[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-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 126922338
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
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine (CID 126921759) is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine is CN(c1nccc(C(F)(F)F)n1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1.
What is the InChIKey of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WPPIQXGYPSMGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N8/c1-26(16-21-7-6-12(22-16)17(18,19)20)11-8-27(9-11)14-5-4-13-23-24-15(10-2-3-10)28(13)25-14/h4-7,10-11H,2-3,8-9H2,1H3.
What are the key properties of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 390.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 126921759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).