7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C11H17F3N4 — CID 129268275

IUPAC7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CN(CC2=NN=C(N12)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H17F3N4/c1-7-5-17(10(2,3)4)6-8-15-16-9(18(7)8)11(12,13)14/h7H,5-6H2,1-4H3
InChIKeyGWZWEJSZQOHQPY-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.30
Rot. Bonds1

About 7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 129268275) has the molecular formula C11H17F3N4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID129268275
Molecular FormulaC11H17F3N4
Molecular Weight262.27 g/mol
Exact Mass262.14
IUPAC Name7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CN(CC2=NN=C(N12)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H17F3N4/c1-7-5-17(10(2,3)4)6-8-15-16-9(18(7)8)11(12,13)14/h7H,5-6H2,1-4H3
InChIKeyGWZWEJSZQOHQPY-UHFFFAOYSA-N
XLogP1.30
TPSA34.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity312

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 129268275) is 7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC1CN(CC2=NN=C(N12)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GWZWEJSZQOHQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-7-5-17(10(2,3)4)6-8-15-16-9(18(7)8)11(12,13)14/h7H,5-6H2,1-4H3.
What are the key properties of 7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 262.27 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 129268275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).