3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C7H7F5N4 — CID 58333849

IUPAC3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)C(F)(F)c1nnc2n1CCNC2
InChIInChI=1S/C7H7F5N4/c8-6(9,7(10,11)12)5-15-14-4-3-13-1-2-16(4)5/h13H,1-3H2
InChIKeyCJMVQFVLPRVJOG-UHFFFAOYSA-N
MW242.15 g/mol
LogP1.04
Rot. Bonds1

About 3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 58333849) has the molecular formula C7H7F5N4 and a molecular weight of 242.15 g/mol. Its IUPAC name is 3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID58333849
Molecular FormulaC7H7F5N4
Molecular Weight242.15 g/mol
Exact Mass242.06
IUPAC Name3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)C(F)(F)c1nnc2n1CCNC2
InChIInChI=1S/C7H7F5N4/c8-6(9,7(10,11)12)5-15-14-4-3-13-1-2-16(4)5/h13H,1-3H2
InChIKeyCJMVQFVLPRVJOG-UHFFFAOYSA-N
XLogP1.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 58333849) is 3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)C(F)(F)c1nnc2n1CCNC2.
What is the InChIKey of 3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CJMVQFVLPRVJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N4/c8-6(9,7(10,11)12)5-15-14-4-3-13-1-2-16(4)5/h13H,1-3H2.
What are the key properties of 3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 242.15 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 58333849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).