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

C11H17F3N4 — CID 147209340

IUPAC7-(3-methylbutan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)C(C)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H17F3N4/c1-7(2)8(3)17-4-5-18-9(6-17)15-16-10(18)11(12,13)14/h7-8H,4-6H2,1-3H3
InChIKeyCEWQLJANXUCOOW-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.16
Rot. Bonds2

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

7-(3-methylbutan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 147209340) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 7-(3-methylbutan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(3-methylbutan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID147209340
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name7-(3-methylbutan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)C(C)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H17F3N4/c1-7(2)8(3)17-4-5-18-9(6-17)15-16-10(18)11(12,13)14/h7-8H,4-6H2,1-3H3
InChIKeyCEWQLJANXUCOOW-UHFFFAOYSA-N
XLogP2.16
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylbutan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(3-methylbutan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 147209340) is 7-(3-methylbutan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(3-methylbutan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(3-methylbutan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)C(C)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 7-(3-methylbutan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CEWQLJANXUCOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-7(2)8(3)17-4-5-18-9(6-17)15-16-10(18)11(12,13)14/h7-8H,4-6H2,1-3H3.
What are the key properties of 7-(3-methylbutan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(3-methylbutan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 262.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylbutan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 147209340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).