1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone

C8H9F3N4O — CID 145225129

IUPAC1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone
SMILESCC(=O)c1nc2n(n1)CCNC2C(F)(F)F
InChIInChI=1S/C8H9F3N4O/c1-4(16)6-13-7-5(8(9,10)11)12-2-3-15(7)14-6/h5,12H,2-3H2,1H3
InChIKeyXRKDCHLPDBRESL-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.69
Rot. Bonds1

About 1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone

1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone (PubChem CID 145225129) has the molecular formula C8H9F3N4O and a molecular weight of 234.18 g/mol. Its IUPAC name is 1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone
PubChem CID145225129
Molecular FormulaC8H9F3N4O
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC Name1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone
SMILESCC(=O)c1nc2n(n1)CCNC2C(F)(F)F
InChIInChI=1S/C8H9F3N4O/c1-4(16)6-13-7-5(8(9,10)11)12-2-3-15(7)14-6/h5,12H,2-3H2,1H3
InChIKeyXRKDCHLPDBRESL-UHFFFAOYSA-N
XLogP0.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone?
The IUPAC name of 1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone (CID 145225129) is 1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone.
What is the SMILES notation for 1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone?
The canonical SMILES for 1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone is CC(=O)c1nc2n(n1)CCNC2C(F)(F)F.
What is the InChIKey of 1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone?
The InChIKey is XRKDCHLPDBRESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O/c1-4(16)6-13-7-5(8(9,10)11)12-2-3-15(7)14-6/h5,12H,2-3H2,1H3.
What are the key properties of 1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone?
1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone has a molecular weight of 234.18 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethanone is sourced from PubChem (CID 145225129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).