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

C11H13F3N6S — CID 64579478

IUPAC1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2CCn3c(nnc3C(F)(F)F)C2)s1
InChIInChI=1S/C11H13F3N6S/c1-6(15)7-4-16-10(21-7)19-2-3-20-8(5-19)17-18-9(20)11(12,13)14/h4,6H,2-3,5,15H2,1H3
InChIKeyFQLUORNXNBXIJE-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.79
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]ethanamine

1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 64579478) has the molecular formula C11H13F3N6S and a molecular weight of 318.33 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]ethanamine.

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]ethanamine
PubChem CID64579478
Molecular FormulaC11H13F3N6S
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2CCn3c(nnc3C(F)(F)F)C2)s1
InChIInChI=1S/C11H13F3N6S/c1-6(15)7-4-16-10(21-7)19-2-3-20-8(5-19)17-18-9(20)11(12,13)14/h4,6H,2-3,5,15H2,1H3
InChIKeyFQLUORNXNBXIJE-UHFFFAOYSA-N
XLogP1.79
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.79
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]ethanamine?
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]ethanamine (CID 64579478) is 1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanamine.
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]ethanamine?
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]ethanamine is CC(N)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]ethanamine?
The InChIKey is FQLUORNXNBXIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6S/c1-6(15)7-4-16-10(21-7)19-2-3-20-8(5-19)17-18-9(20)11(12,13)14/h4,6H,2-3,5,15H2,1H3.
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]ethanamine?
1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 318.33 g/mol, XLogP of 1.79, 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]ethanamine is sourced from PubChem (CID 64579478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).