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

C18H17F3N6O — CID 126921502

IUPACN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide
SMILESCc1nnc2ccc(N3CC(N(C)C(=O)c4ccccc4C(F)(F)F)C3)nn12
InChIInChI=1S/C18H17F3N6O/c1-11-22-23-15-7-8-16(24-27(11)15)26-9-12(10-26)25(2)17(28)13-5-3-4-6-14(13)18(19,20)21/h3-8,12H,9-10H2,1-2H3
InChIKeyHALIQGWWUMHYMP-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.41
Rot. Bonds3

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

N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide (PubChem CID 126921502) has the molecular formula C18H17F3N6O and a molecular weight of 390.37 g/mol. Its IUPAC name is N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide
PubChem CID126921502
Molecular FormulaC18H17F3N6O
Molecular Weight390.37 g/mol
Exact Mass390.14
IUPAC NameN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide
SMILESCc1nnc2ccc(N3CC(N(C)C(=O)c4ccccc4C(F)(F)F)C3)nn12
InChIInChI=1S/C18H17F3N6O/c1-11-22-23-15-7-8-16(24-27(11)15)26-9-12(10-26)25(2)17(28)13-5-3-4-6-14(13)18(19,20)21/h3-8,12H,9-10H2,1-2H3
InChIKeyHALIQGWWUMHYMP-UHFFFAOYSA-N
XLogP2.41
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indazole-3-carboxamide
CID 126921173
N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide
CID 126921171
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazine-2-carboxamide
CID 126921100
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 126921118
1-methyl-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-(oxan-4-yl)urea
CID 126921122
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2,4-difluoro-N-methylbenzamide
CID 134161488
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-pyridin-4-ylsulfanylacetamide
CID 134161372
N,3-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126921210
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
N-cyclohexyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921223
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine
CID 126921289
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,2,5-trimethylfuran-3-carboxamide
CID 126922104

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide (CID 126921502) is N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide is Cc1nnc2ccc(N3CC(N(C)C(=O)c4ccccc4C(F)(F)F)C3)nn12.
What is the InChIKey of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is HALIQGWWUMHYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O/c1-11-22-23-15-7-8-16(24-27(11)15)26-9-12(10-26)25(2)17(28)13-5-3-4-6-14(13)18(19,20)21/h3-8,12H,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide?
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 390.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 126921502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).