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

C11H17F3N4 — CID 90978657

IUPAC8-ethyl-5,6,7-trimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1C2=NN=C(N2C(C(N1C)C)C)C(F)(F)F
InChIInChI=1S/C11H17F3N4/c1-5-8-9-15-16-10(11(12,13)14)18(9)7(3)6(2)17(8)4/h6-8H,5H2,1-4H3
InChIKeyCEZCQPFONQMNPI-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.70
Rot. Bonds1

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

8-ethyl-5,6,7-trimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 90978657) has the molecular formula C11H17F3N4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 8-ethyl-5,6,7-trimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-ethyl-5,6,7-trimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID90978657
Molecular FormulaC11H17F3N4
Molecular Weight262.27 g/mol
Exact Mass262.14
IUPAC Name8-ethyl-5,6,7-trimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1C2=NN=C(N2C(C(N1C)C)C)C(F)(F)F
InChIInChI=1S/C11H17F3N4/c1-5-8-9-15-16-10(11(12,13)14)18(9)7(3)6(2)17(8)4/h6-8H,5H2,1-4H3
InChIKeyCEZCQPFONQMNPI-UHFFFAOYSA-N
XLogP1.70
TPSA34.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity309

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5,6,7-trimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-ethyl-5,6,7-trimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 90978657) is 8-ethyl-5,6,7-trimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-ethyl-5,6,7-trimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-ethyl-5,6,7-trimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCC1C2=NN=C(N2C(C(N1C)C)C)C(F)(F)F.
What is the InChIKey of 8-ethyl-5,6,7-trimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CEZCQPFONQMNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-5-8-9-15-16-10(11(12,13)14)18(9)7(3)6(2)17(8)4/h6-8H,5H2,1-4H3.
What are the key properties of 8-ethyl-5,6,7-trimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
8-ethyl-5,6,7-trimethyl-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 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5,6,7-trimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 90978657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).