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

C10H9ClF3N5OS — CID 80691855

IUPAC[4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CCn3c(nnc3C(F)(F)F)C2)nc1Cl
InChIInChI=1S/C10H9ClF3N5OS/c11-7-5(4-20)21-9(15-7)18-1-2-19-6(3-18)16-17-8(19)10(12,13)14/h20H,1-4H2
InChIKeyJXVWEQCGNFIMOU-UHFFFAOYSA-N
MW339.73 g/mol
LogP1.92
Rot. Bonds2

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

[4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol (PubChem CID 80691855) has the molecular formula C10H9ClF3N5OS and a molecular weight of 339.73 g/mol. Its IUPAC name is [4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol
PubChem CID80691855
Molecular FormulaC10H9ClF3N5OS
Molecular Weight339.73 g/mol
Exact Mass339.02
IUPAC Name[4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CCn3c(nnc3C(F)(F)F)C2)nc1Cl
InChIInChI=1S/C10H9ClF3N5OS/c11-7-5(4-20)21-9(15-7)18-1-2-19-6(3-18)16-17-8(19)10(12,13)14/h20H,1-4H2
InChIKeyJXVWEQCGNFIMOU-UHFFFAOYSA-N
XLogP1.92
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol with MolForge

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Related Compounds

[4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol
CID 64577922
[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol
CID 64578307
4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole-5-carbaldehyde
CID 80690312
4-chloro-5-(chloromethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole
CID 80691158
[4-Chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
CID 80692337
[4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol
CID 80692705

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol (CID 80691855) is [4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol is OCc1sc(N2CCn3c(nnc3C(F)(F)F)C2)nc1Cl.
What is the InChIKey of [4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol?
The InChIKey is JXVWEQCGNFIMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N5OS/c11-7-5(4-20)21-9(15-7)18-1-2-19-6(3-18)16-17-8(19)10(12,13)14/h20H,1-4H2.
What are the key properties of [4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol has a molecular weight of 339.73 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80691855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).