N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine

C19H20F3N7 — CID 134161451

IUPACN-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ccc(C(F)(F)F)cn1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1
InChIInChI=1S/C19H20F3N7/c1-27(15-6-5-13(9-23-15)19(20,21)22)14-10-28(11-14)17-8-7-16-24-25-18(29(16)26-17)12-3-2-4-12/h5-9,12,14H,2-4,10-11H2,1H3
InChIKeyJWNYHAGKSFTTKL-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.13
Rot. Bonds4

About N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 134161451) has the molecular formula C19H20F3N7 and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID134161451
Molecular FormulaC19H20F3N7
Molecular Weight403.41 g/mol
Exact Mass403.17
IUPAC NameN-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ccc(C(F)(F)F)cn1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1
InChIInChI=1S/C19H20F3N7/c1-27(15-6-5-13(9-23-15)19(20,21)22)14-10-28(11-14)17-8-7-16-24-25-18(29(16)26-17)12-3-2-4-12/h5-9,12,14H,2-4,10-11H2,1H3
InChIKeyJWNYHAGKSFTTKL-UHFFFAOYSA-N
XLogP3.13
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylpyrimidin-2-amine
CID 126922171
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 126920482
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
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-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126922209
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,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-dimethyl-1,3-thiazol-2-amine
CID 126922363
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
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethylpyrazin-2-amine
CID 126921801
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-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylethanesulfonamide
CID 134161090

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-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 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) is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-5-(trifluoromethyl)pyridin-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-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine is CN(c1ccc(C(F)(F)F)cn1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1.
What is the InChIKey of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JWNYHAGKSFTTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7/c1-27(15-6-5-13(9-23-15)19(20,21)22)14-10-28(11-14)17-8-7-16-24-25-18(29(16)26-17)12-3-2-4-12/h5-9,12,14H,2-4,10-11H2,1H3.
What are the key properties of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 403.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134161451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).