2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C8H10F4N4O — CID 112741532

IUPAC2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CC(F)(F)C(F)F)nc2n1CCNC2
InChIInChI=1S/C8H10F4N4O/c9-6(10)8(11,12)4-16-7(17)15-2-1-13-3-5(15)14-16/h6,13H,1-4H2
InChIKeyOEXDDUBOTOIFRV-UHFFFAOYSA-N
MW254.19 g/mol
LogP0.05
Rot. Bonds3

About 2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 112741532) has the molecular formula C8H10F4N4O and a molecular weight of 254.19 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID112741532
Molecular FormulaC8H10F4N4O
Molecular Weight254.19 g/mol
Exact Mass254.08
IUPAC Name2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CC(F)(F)C(F)F)nc2n1CCNC2
InChIInChI=1S/C8H10F4N4O/c9-6(10)8(11,12)4-16-7(17)15-2-1-13-3-5(15)14-16/h6,13H,1-4H2
InChIKeyOEXDDUBOTOIFRV-UHFFFAOYSA-N
XLogP0.05
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-difluoroethyl)-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazin-3-one
CID 66271273
2-[2-(2,2,2-Trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55155921
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55157264
2-(3,3,3-Trifluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272131
2-[3-(2,2,2-Trifluoroethoxy)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272557
2-(2,2,2-Trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272561
2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66274046
2-(Difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66281223
2-(2-Fluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 80696332
2-(3-Fluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 81109804
1-[3-(3-Oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3-(3,3,3-trifluoropropyl)urea
CID 100904565
2-(2,2,2-Trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 113867523

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 112741532) is 2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CC(F)(F)C(F)F)nc2n1CCNC2.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is OEXDDUBOTOIFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N4O/c9-6(10)8(11,12)4-16-7(17)15-2-1-13-3-5(15)14-16/h6,13H,1-4H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 254.19 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 112741532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).