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

C10H10F3N5OS — CID 64578307

IUPAC[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(N2CCn3c(nnc3C(F)(F)F)C2)s1
InChIInChI=1S/C10H10F3N5OS/c11-10(12,13)8-16-15-7-4-17(1-2-18(7)8)9-14-3-6(5-19)20-9/h3,19H,1-2,4-5H2
InChIKeyBKHXTKIRGKDHPD-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.27
Rot. Bonds2

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

[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 64578307) has the molecular formula C10H10F3N5OS and a molecular weight of 305.29 g/mol. Its IUPAC name is [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[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol
PubChem CID64578307
Molecular FormulaC10H10F3N5OS
Molecular Weight305.29 g/mol
Exact Mass305.06
IUPAC Name[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(N2CCn3c(nnc3C(F)(F)F)C2)s1
InChIInChI=1S/C10H10F3N5OS/c11-10(12,13)8-16-15-7-4-17(1-2-18(7)8)9-14-3-6(5-19)20-9/h3,19H,1-2,4-5H2
InChIKeyBKHXTKIRGKDHPD-UHFFFAOYSA-N
XLogP1.27
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [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 [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) is [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 [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 [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol is OCc1cnc(N2CCn3c(nnc3C(F)(F)F)C2)s1.
What is the InChIKey of [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 BKHXTKIRGKDHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5OS/c11-10(12,13)8-16-15-7-4-17(1-2-18(7)8)9-14-3-6(5-19)20-9/h3,19H,1-2,4-5H2.
What are the key properties of [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanol?
[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 305.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 64578307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).