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

C12H19F3N4 — CID 67977973

IUPAC7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(C)(C)CCN1CCn2nc(C(F)(F)F)nc2C1
InChIInChI=1S/C12H19F3N4/c1-11(2,3)4-5-18-6-7-19-9(8-18)16-10(17-19)12(13,14)15/h4-8H2,1-3H3
InChIKeyHHZXLTMZPUGASI-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.55
Rot. Bonds2

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

7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 67977973) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID67977973
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(C)(C)CCN1CCn2nc(C(F)(F)F)nc2C1
InChIInChI=1S/C12H19F3N4/c1-11(2,3)4-5-18-6-7-19-9(8-18)16-10(17-19)12(13,14)15/h4-8H2,1-3H3
InChIKeyHHZXLTMZPUGASI-UHFFFAOYSA-N
XLogP2.55
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 67977973) is 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is CC(C)(C)CCN1CCn2nc(C(F)(F)F)nc2C1.
What is the InChIKey of 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is HHZXLTMZPUGASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-11(2,3)4-5-18-6-7-19-9(8-18)16-10(17-19)12(13,14)15/h4-8H2,1-3H3.
What are the key properties of 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 276.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 67977973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).