[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol

C8H11F3N4O — CID 136837723

IUPAC[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
SMILESCC1CC(C(F)(F)F)n2nc(CO)nc2N1
InChIInChI=1S/C8H11F3N4O/c1-4-2-5(8(9,10)11)15-7(12-4)13-6(3-16)14-15/h4-5,16H,2-3H2,1H3,(H,12,13,14)
InChIKeyBJKGSENCEWMXHY-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.08
Rot. Bonds1

About [5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol

[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol (PubChem CID 136837723) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is [5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
PubChem CID136837723
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
SMILESCC1CC(C(F)(F)F)n2nc(CO)nc2N1
InChIInChI=1S/C8H11F3N4O/c1-4-2-5(8(9,10)11)15-7(12-4)13-6(3-16)14-15/h4-5,16H,2-3H2,1H3,(H,12,13,14)
InChIKeyBJKGSENCEWMXHY-UHFFFAOYSA-N
XLogP1.08
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-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 [5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol?
The IUPAC name of [5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol (CID 136837723) is [5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol.
What is the SMILES notation for [5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol?
The canonical SMILES for [5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol is CC1CC(C(F)(F)F)n2nc(CO)nc2N1.
What is the InChIKey of [5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol?
The InChIKey is BJKGSENCEWMXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-4-2-5(8(9,10)11)15-7(12-4)13-6(3-16)14-15/h4-5,16H,2-3H2,1H3,(H,12,13,14).
What are the key properties of [5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol?
[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol has a molecular weight of 236.20 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol is sourced from PubChem (CID 136837723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).