N-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C15H15F3N6O — CID 133367850

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccc(CNc2nn3c(C(F)(F)F)nnc3c(C)c2C)cn1
InChIInChI=1S/C15H15F3N6O/c1-8-9(2)13-21-22-14(15(16,17)18)24(13)23-12(8)20-7-10-4-5-11(25-3)19-6-10/h4-6H,7H2,1-3H3,(H,20,23)
InChIKeyICRNCAVJTBUKNZ-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.78
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133367850) has the molecular formula C15H15F3N6O and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133367850
Molecular FormulaC15H15F3N6O
Molecular Weight352.32 g/mol
Exact Mass352.13
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccc(CNc2nn3c(C(F)(F)F)nnc3c(C)c2C)cn1
InChIInChI=1S/C15H15F3N6O/c1-8-9(2)13-21-22-14(15(16,17)18)24(13)23-12(8)20-7-10-4-5-11(25-3)19-6-10/h4-6H,7H2,1-3H3,(H,20,23)
InChIKeyICRNCAVJTBUKNZ-UHFFFAOYSA-N
XLogP2.78
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133367838
N-[(1,5-dimethylpyrazol-4-yl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133405643
N-butyl-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133367648
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
N-[2-(1,3-benzodioxol-5-yl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133367782
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
4-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butanoic acid
CID 122058687
6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80971470
N-[2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 133388279
1-N-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 62990420
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133367850) is N-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COc1ccc(CNc2nn3c(C(F)(F)F)nnc3c(C)c2C)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ICRNCAVJTBUKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O/c1-8-9(2)13-21-22-14(15(16,17)18)24(13)23-12(8)20-7-10-4-5-11(25-3)19-6-10/h4-6H,7H2,1-3H3,(H,20,23).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 352.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133367850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).