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

C12H15F3N6 — CID 106950644

IUPAC2-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-amine
SMILESCC1CC(N)CCN1c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C12H15F3N6/c1-7-6-8(16)4-5-20(7)10-3-2-9-17-18-11(12(13,14)15)21(9)19-10/h2-3,7-8H,4-6,16H2,1H3
InChIKeyAYMKSSONVYAKSS-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.46
Rot. Bonds1

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

2-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-amine (PubChem CID 106950644) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-amine
PubChem CID106950644
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name2-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-amine
SMILESCC1CC(N)CCN1c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C12H15F3N6/c1-7-6-8(16)4-5-20(7)10-3-2-9-17-18-11(12(13,14)15)21(9)19-10/h2-3,7-8H,4-6,16H2,1H3
InChIKeyAYMKSSONVYAKSS-UHFFFAOYSA-N
XLogP1.46
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-amine?
The IUPAC name of 2-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-amine (CID 106950644) is 2-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-amine.
What is the SMILES notation for 2-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-amine?
The canonical SMILES for 2-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-amine is CC1CC(N)CCN1c1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of 2-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-amine?
The InChIKey is AYMKSSONVYAKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c1-7-6-8(16)4-5-20(7)10-3-2-9-17-18-11(12(13,14)15)21(9)19-10/h2-3,7-8H,4-6,16H2,1H3.
What are the key properties of 2-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-amine?
2-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-amine has a molecular weight of 300.29 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-amine is sourced from PubChem (CID 106950644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).