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

C9H11F3N4O — CID 156507504

IUPAC7-[[(2R)-oxiran-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2n1CCN(C[C@@H]1CO1)C2
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)8-14-13-7-4-15(1-2-16(7)8)3-6-5-17-6/h6H,1-5H2/t6-/m1/s1
InChIKeyOARJLAIMTDAUBM-ZCFIWIBFSA-N
MW248.21 g/mol
LogP0.51
Rot. Bonds2

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

7-[[(2R)-oxiran-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 156507504) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 7-[[(2R)-oxiran-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[[(2R)-oxiran-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID156507504
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name7-[[(2R)-oxiran-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2n1CCN(C[C@@H]1CO1)C2
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)8-14-13-7-4-15(1-2-16(7)8)3-6-5-17-6/h6H,1-5H2/t6-/m1/s1
InChIKeyOARJLAIMTDAUBM-ZCFIWIBFSA-N
XLogP0.51
TPSA46.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[(2R)-oxiran-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[[(2R)-oxiran-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 156507504) is 7-[[(2R)-oxiran-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[[(2R)-oxiran-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[[(2R)-oxiran-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)c1nnc2n1CCN(C[C@@H]1CO1)C2.
What is the InChIKey of 7-[[(2R)-oxiran-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is OARJLAIMTDAUBM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)8-14-13-7-4-15(1-2-16(7)8)3-6-5-17-6/h6H,1-5H2/t6-/m1/s1.
What are the key properties of 7-[[(2R)-oxiran-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[[(2R)-oxiran-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 248.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2R)-oxiran-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 156507504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).