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

C11H9F3N4 — CID 65100206

IUPAC3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(F)c(-c2nnc3n2CCNC3)c(F)c1
InChIInChI=1S/C11H9F3N4/c12-6-3-7(13)10(8(14)4-6)11-17-16-9-5-15-1-2-18(9)11/h3-4,15H,1-2,5H2
InChIKeyKQMHKSPELPWSPI-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.47
Rot. Bonds1

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

3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 65100206) has the molecular formula C11H9F3N4 and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID65100206
Molecular FormulaC11H9F3N4
Molecular Weight254.21 g/mol
Exact Mass254.08
IUPAC Name3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(F)c(-c2nnc3n2CCNC3)c(F)c1
InChIInChI=1S/C11H9F3N4/c12-6-3-7(13)10(8(14)4-6)11-17-16-9-5-15-1-2-18(9)11/h3-4,15H,1-2,5H2
InChIKeyKQMHKSPELPWSPI-UHFFFAOYSA-N
XLogP1.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 65100206) is 3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cc(F)c(-c2nnc3n2CCNC3)c(F)c1.
What is the InChIKey of 3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KQMHKSPELPWSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4/c12-6-3-7(13)10(8(14)4-6)11-17-16-9-5-15-1-2-18(9)11/h3-4,15H,1-2,5H2.
What are the key properties of 3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 254.21 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 65100206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).