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

C12H15F3N6 — CID 106950587

IUPAC[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1
InChIInChI=1S/C12H15F3N6/c13-12(14,15)11-18-17-9-3-4-10(19-21(9)11)20-5-1-2-8(6-16)7-20/h3-4,8H,1-2,5-7,16H2
InChIKeyDSLAZPIWOZKTJK-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.32
Rot. Bonds2

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

[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine (PubChem CID 106950587) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine
PubChem CID106950587
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1
InChIInChI=1S/C12H15F3N6/c13-12(14,15)11-18-17-9-3-4-10(19-21(9)11)20-5-1-2-8(6-16)7-20/h3-4,8H,1-2,5-7,16H2
InChIKeyDSLAZPIWOZKTJK-UHFFFAOYSA-N
XLogP1.32
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine (CID 106950587) is [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine is NCC1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1.
What is the InChIKey of [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine?
The InChIKey is DSLAZPIWOZKTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c13-12(14,15)11-18-17-9-3-4-10(19-21(9)11)20-5-1-2-8(6-16)7-20/h3-4,8H,1-2,5-7,16H2.
What are the key properties of [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine?
[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine has a molecular weight of 300.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 106950587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).