4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine

C11H13F3N6 — CID 106950668

IUPAC4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine
SMILESCC1CN(c2ccc3nnc(C(F)(F)F)n3n2)CC1N
InChIInChI=1S/C11H13F3N6/c1-6-4-19(5-7(6)15)9-3-2-8-16-17-10(11(12,13)14)20(8)18-9/h2-3,6-7H,4-5,15H2,1H3
InChIKeyLAYKYUNAIWPSOQ-UHFFFAOYSA-N
MW286.26 g/mol
LogP0.93
Rot. Bonds1

About 4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine

4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine (PubChem CID 106950668) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine
PubChem CID106950668
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine
SMILESCC1CN(c2ccc3nnc(C(F)(F)F)n3n2)CC1N
InChIInChI=1S/C11H13F3N6/c1-6-4-19(5-7(6)15)9-3-2-8-16-17-10(11(12,13)14)20(8)18-9/h2-3,6-7H,4-5,15H2,1H3
InChIKeyLAYKYUNAIWPSOQ-UHFFFAOYSA-N
XLogP0.93
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine (CID 106950668) is 4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine is CC1CN(c2ccc3nnc(C(F)(F)F)n3n2)CC1N.
What is the InChIKey of 4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine?
The InChIKey is LAYKYUNAIWPSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-6-4-19(5-7(6)15)9-3-2-8-16-17-10(11(12,13)14)20(8)18-9/h2-3,6-7H,4-5,15H2,1H3.
What are the key properties of 4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine?
4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine has a molecular weight of 286.26 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine is sourced from PubChem (CID 106950668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).