fluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol

C7H8F4N4O — CID 162545566

IUPACfluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol
SMILESOC(F)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C7H8F4N4O/c8-6(16)14-1-2-15-4(3-14)12-13-5(15)7(9,10)11/h6,16H,1-3H2
InChIKeyDEXHZBFBSCYAEK-UHFFFAOYSA-N
MW240.16 g/mol
LogP0.36
Rot. Bonds1

About fluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol

fluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol (PubChem CID 162545566) has the molecular formula C7H8F4N4O and a molecular weight of 240.16 g/mol. Its IUPAC name is fluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol.

Molecular Properties

Compound Namefluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol
PubChem CID162545566
Molecular FormulaC7H8F4N4O
Molecular Weight240.16 g/mol
Exact Mass240.06
IUPAC Namefluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol
SMILESOC(F)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C7H8F4N4O/c8-6(16)14-1-2-15-4(3-14)12-13-5(15)7(9,10)11/h6,16H,1-3H2
InChIKeyDEXHZBFBSCYAEK-UHFFFAOYSA-N
XLogP0.36
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol?
The IUPAC name of fluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol (CID 162545566) is fluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol.
What is the SMILES notation for fluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol?
The canonical SMILES for fluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol is OC(F)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of fluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol?
The InChIKey is DEXHZBFBSCYAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N4O/c8-6(16)14-1-2-15-4(3-14)12-13-5(15)7(9,10)11/h6,16H,1-3H2.
What are the key properties of fluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol?
fluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol has a molecular weight of 240.16 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanol is sourced from PubChem (CID 162545566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).