[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

C11H12F3N5OS — CID 64577922

IUPAC[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
SMILESCc1nc(N2CCn3c(nnc3C(F)(F)F)C2)sc1CO
InChIInChI=1S/C11H12F3N5OS/c1-6-7(5-20)21-10(15-6)18-2-3-19-8(4-18)16-17-9(19)11(12,13)14/h20H,2-5H2,1H3
InChIKeyQCCUNSUIFSYYIO-UHFFFAOYSA-N
MW319.31 g/mol
LogP1.57
Rot. Bonds2

About [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

[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 (PubChem CID 64577922) has the molecular formula C11H12F3N5OS and a molecular weight of 319.31 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID64577922
Molecular FormulaC11H12F3N5OS
Molecular Weight319.31 g/mol
Exact Mass319.07
IUPAC Name[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
SMILESCc1nc(N2CCn3c(nnc3C(F)(F)F)C2)sc1CO
InChIInChI=1S/C11H12F3N5OS/c1-6-7(5-20)21-10(15-6)18-2-3-19-8(4-18)16-17-9(19)11(12,13)14/h20H,2-5H2,1H3
InChIKeyQCCUNSUIFSYYIO-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1nc(N2CCn3c(nnc3C(F)(F)F)C2)sc1CO.
What is the InChIKey of [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?
The InChIKey is QCCUNSUIFSYYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5OS/c1-6-7(5-20)21-10(15-6)18-2-3-19-8(4-18)16-17-9(19)11(12,13)14/h20H,2-5H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 319.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 64577922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).