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

C12H19F3N6 — CID 64575442

IUPAC7-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2n1CCN(CCN1CCNCC1)C2
InChIInChI=1S/C12H19F3N6/c13-12(14,15)11-18-17-10-9-20(7-8-21(10)11)6-5-19-3-1-16-2-4-19/h16H,1-9H2
InChIKeyBSQFWJRHUQTYAT-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.02
Rot. Bonds3

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

7-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 64575442) has the molecular formula C12H19F3N6 and a molecular weight of 304.32 g/mol. Its IUPAC name is 7-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID64575442
Molecular FormulaC12H19F3N6
Molecular Weight304.32 g/mol
Exact Mass304.16
IUPAC Name7-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2n1CCN(CCN1CCNCC1)C2
InChIInChI=1S/C12H19F3N6/c13-12(14,15)11-18-17-10-9-20(7-8-21(10)11)6-5-19-3-1-16-2-4-19/h16H,1-9H2
InChIKeyBSQFWJRHUQTYAT-UHFFFAOYSA-N
XLogP0.02
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 64575442) is 7-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)c1nnc2n1CCN(CCN1CCNCC1)C2.
What is the InChIKey of 7-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BSQFWJRHUQTYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N6/c13-12(14,15)11-18-17-10-9-20(7-8-21(10)11)6-5-19-3-1-16-2-4-19/h16H,1-9H2.
What are the key properties of 7-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 304.32 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 64575442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).