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

C10H15F3N4 — CID 67978731

IUPAC7-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCCCCN1CCn2nc(C(F)(F)F)nc2C1
InChIInChI=1S/C10H15F3N4/c1-2-3-4-16-5-6-17-8(7-16)14-9(15-17)10(11,12)13/h2-7H2,1H3
InChIKeyFZYRQIWUSWYIIN-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.91
Rot. Bonds3

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

7-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 67978731) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 7-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID67978731
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name7-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCCCCN1CCn2nc(C(F)(F)F)nc2C1
InChIInChI=1S/C10H15F3N4/c1-2-3-4-16-5-6-17-8(7-16)14-9(15-17)10(11,12)13/h2-7H2,1H3
InChIKeyFZYRQIWUSWYIIN-UHFFFAOYSA-N
XLogP1.91
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 7-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 67978731) is 7-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 7-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is CCCCN1CCn2nc(C(F)(F)F)nc2C1.
What is the InChIKey of 7-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is FZYRQIWUSWYIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-2-3-4-16-5-6-17-8(7-16)14-9(15-17)10(11,12)13/h2-7H2,1H3.
What are the key properties of 7-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
7-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, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 67978731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).