3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C11H13F3N6 — CID 134299732

IUPAC3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(N3CCCC(C(F)(F)F)C3)nnc12
InChIInChI=1S/C11H13F3N6/c12-11(13,14)7-2-1-4-19(6-7)10-18-17-9-8(15)16-3-5-20(9)10/h3,5,7H,1-2,4,6H2,(H2,15,16)
InChIKeyJXWRHVNHHAAXCH-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.49
Rot. Bonds1

About 3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 134299732) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID134299732
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(N3CCCC(C(F)(F)F)C3)nnc12
InChIInChI=1S/C11H13F3N6/c12-11(13,14)7-2-1-4-19(6-7)10-18-17-9-8(15)16-3-5-20(9)10/h3,5,7H,1-2,4,6H2,(H2,15,16)
InChIKeyJXWRHVNHHAAXCH-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 134299732) is 3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Nc1nccn2c(N3CCCC(C(F)(F)F)C3)nnc12.
What is the InChIKey of 3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is JXWRHVNHHAAXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c12-11(13,14)7-2-1-4-19(6-7)10-18-17-9-8(15)16-3-5-20(9)10/h3,5,7H,1-2,4,6H2,(H2,15,16).
What are the key properties of 3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 286.26 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 134299732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).