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

C15H14F3N7 — CID 126920482

IUPACN-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ccc(C(F)(F)F)cn1)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C15H14F3N7/c1-23(12-3-2-10(6-19-12)15(16,17)18)11-7-24(8-11)14-5-4-13-21-20-9-25(13)22-14/h2-6,9,11H,7-8H2,1H3
InChIKeyOLJZDFQSKRMZLG-UHFFFAOYSA-N
MW349.32 g/mol
LogP1.86
Rot. Bonds3

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

N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 126920482) has the molecular formula C15H14F3N7 and a molecular weight of 349.32 g/mol. Its IUPAC name is N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID126920482
Molecular FormulaC15H14F3N7
Molecular Weight349.32 g/mol
Exact Mass349.13
IUPAC NameN-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ccc(C(F)(F)F)cn1)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C15H14F3N7/c1-23(12-3-2-10(6-19-12)15(16,17)18)11-7-24(8-11)14-5-4-13-21-20-9-25(13)22-14/h2-6,9,11H,7-8H2,1H3
InChIKeyOLJZDFQSKRMZLG-UHFFFAOYSA-N
XLogP1.86
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 51.86
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-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 134161451
N,6-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazin-3-amine
CID 126920500
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126918141
5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine
CID 126920737
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920637
N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920616
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 126920728
N-methyl-N-[(6-methylpyrazin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920593
N-methyl-N-[(3-methyltriazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920624
6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide
CID 126920452
5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine
CID 126920730

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 126920482) is N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine is CN(c1ccc(C(F)(F)F)cn1)C1CN(c2ccc3nncn3n2)C1.
What is the InChIKey of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OLJZDFQSKRMZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7/c1-23(12-3-2-10(6-19-12)15(16,17)18)11-7-24(8-11)14-5-4-13-21-20-9-25(13)22-14/h2-6,9,11H,7-8H2,1H3.
What are the key properties of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 349.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 126920482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).