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

C10H15F3N4 — CID 70937970

IUPAC7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(C)(C)N1CCn2nc(C(F)(F)F)nc2C1
InChIInChI=1S/C10H15F3N4/c1-9(2,3)16-4-5-17-7(6-16)14-8(15-17)10(11,12)13/h4-6H2,1-3H3
InChIKeyBPWJMUBNKYRIFP-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.91
Rot. Bonds

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

7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 70937970) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID70937970
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(C)(C)N1CCn2nc(C(F)(F)F)nc2C1
InChIInChI=1S/C10H15F3N4/c1-9(2,3)16-4-5-17-7(6-16)14-8(15-17)10(11,12)13/h4-6H2,1-3H3
InChIKeyBPWJMUBNKYRIFP-UHFFFAOYSA-N
XLogP1.91
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 70937970) is 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is CC(C)(C)N1CCn2nc(C(F)(F)F)nc2C1.
What is the InChIKey of 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is BPWJMUBNKYRIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-9(2,3)16-4-5-17-7(6-16)14-8(15-17)10(11,12)13/h4-6H2,1-3H3.
What are the key properties of 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 248.25 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 70937970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).