3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C13H17F3N6 — CID 138684332

IUPAC3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC1(C)CCCN(c2nnc3c(N)ncc(C(F)(F)F)n23)C1
InChIInChI=1S/C13H17F3N6/c1-12(2)4-3-5-21(7-12)11-20-19-10-9(17)18-6-8(22(10)11)13(14,15)16/h6H,3-5,7H2,1-2H3,(H2,17,18)
InChIKeyOTPNPAGLUXAJOA-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.35
Rot. Bonds1

About 3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 138684332) has the molecular formula C13H17F3N6 and a molecular weight of 314.32 g/mol. Its IUPAC name is 3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID138684332
Molecular FormulaC13H17F3N6
Molecular Weight314.32 g/mol
Exact Mass314.15
IUPAC Name3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC1(C)CCCN(c2nnc3c(N)ncc(C(F)(F)F)n23)C1
InChIInChI=1S/C13H17F3N6/c1-12(2)4-3-5-21(7-12)11-20-19-10-9(17)18-6-8(22(10)11)13(14,15)16/h6H,3-5,7H2,1-2H3,(H2,17,18)
InChIKeyOTPNPAGLUXAJOA-UHFFFAOYSA-N
XLogP2.35
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

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Related Compounds

5-Methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 24777181
[5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-yl]methanamine
CID 64575302
2-(Difluoromethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-alpha]pyrazine
CID 69361700
8-Methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 69519761
6-Methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 69520409
3-(Difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 118136376
3-[3-(Trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 134299732
3-(3,3-Dimethylpiperidin-1-yl)-8-methoxy-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 138684290
8-Chloro-3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 138684447
3-(1,1-Difluoroheptan-4-yl)-8-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 139314193
Ethane;7-ethyl-3-(trifluoromethyl)-2,4,5,8,10,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 158769090
8-(4,4-Difluoropiperidin-1-yl)-2-methylimidazo[1,2-a]pyrazin-6-amine
CID 170742329

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 138684332) is 3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CC1(C)CCCN(c2nnc3c(N)ncc(C(F)(F)F)n23)C1.
What is the InChIKey of 3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is OTPNPAGLUXAJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N6/c1-12(2)4-3-5-21(7-12)11-20-19-10-9(17)18-6-8(22(10)11)13(14,15)16/h6H,3-5,7H2,1-2H3,(H2,17,18).
What are the key properties of 3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 314.32 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 138684332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).