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

C11H12F3N5OS — CID 64578308

IUPAC1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N2CCn3c(nnc3C(F)(F)F)C2)s1
InChIInChI=1S/C11H12F3N5OS/c1-6(20)7-4-15-10(21-7)18-2-3-19-8(5-18)16-17-9(19)11(12,13)14/h4,6,20H,2-3,5H2,1H3
InChIKeyZHAPDPZAFMDJAN-UHFFFAOYSA-N
MW319.31 g/mol
LogP1.83
Rot. Bonds2

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

1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanol (PubChem CID 64578308) has the molecular formula C11H12F3N5OS and a molecular weight of 319.31 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanol
PubChem CID64578308
Molecular FormulaC11H12F3N5OS
Molecular Weight319.31 g/mol
Exact Mass319.07
IUPAC Name1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N2CCn3c(nnc3C(F)(F)F)C2)s1
InChIInChI=1S/C11H12F3N5OS/c1-6(20)7-4-15-10(21-7)18-2-3-19-8(5-18)16-17-9(19)11(12,13)14/h4,6,20H,2-3,5H2,1H3
InChIKeyZHAPDPZAFMDJAN-UHFFFAOYSA-N
XLogP1.83
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanol (CID 64578308) is 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(N2CCn3c(nnc3C(F)(F)F)C2)s1.
What is the InChIKey of 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanol?
The InChIKey is ZHAPDPZAFMDJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5OS/c1-6(20)7-4-15-10(21-7)18-2-3-19-8(5-18)16-17-9(19)11(12,13)14/h4,6,20H,2-3,5H2,1H3.
What are the key properties of 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanol?
1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanol has a molecular weight of 319.31 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 64578308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).