tert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate

C11H15F3N4O2 — CID 154197926

IUPACtert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCc2nc(C(F)(F)F)nn21
InChIInChI=1S/C11H15F3N4O2/c1-10(2,3)20-8(19)6-4-15-5-7-16-9(11(12,13)14)17-18(6)7/h6,15H,4-5H2,1-3H3
InChIKeyPVVVTRCUZOXGCM-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.28
Rot. Bonds1

About tert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 154197926) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is tert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID154197926
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Nametert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCc2nc(C(F)(F)F)nn21
InChIInChI=1S/C11H15F3N4O2/c1-10(2,3)20-8(19)6-4-15-5-7-16-9(11(12,13)14)17-18(6)7/h6,15H,4-5H2,1-3H3
InChIKeyPVVVTRCUZOXGCM-UHFFFAOYSA-N
XLogP1.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate with MolForge

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Related Compounds

tert-butyl 3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
CID 91662808
tert-butyl 5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine-6-carboxylate
CID 122163301
tert-butyl (6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
CID 99965089
Tert-butyl 8-(methylsulfonyloxymethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate
CID 87798167
methyl 2-(methylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoate
CID 64577865
ethyl 2-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoate
CID 64578253
methyl 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoate
CID 64578254
2-(methylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoic acid
CID 64578449
2-(ethylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoic acid
CID 64578646
methyl 2-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoate
CID 64578647
2-methyl-2-(methylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoic acid
CID 64579035
methyl 3-amino-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoate
CID 65814879

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate (CID 154197926) is tert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)C1CNCc2nc(C(F)(F)F)nn21.
What is the InChIKey of tert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is PVVVTRCUZOXGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-10(2,3)20-8(19)6-4-15-5-7-16-9(11(12,13)14)17-18(6)7/h6,15H,4-5H2,1-3H3.
What are the key properties of tert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 292.26 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 154197926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).