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

C8H12F2N4O — CID 165475488

IUPAC[7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
SMILESCC1CC(C(F)F)n2nc(CO)nc2N1
InChIInChI=1S/C8H12F2N4O/c1-4-2-5(7(9)10)14-8(11-4)12-6(3-15)13-14/h4-5,7,15H,2-3H2,1H3,(H,11,12,13)
InChIKeyCCEOLYPYOFWPCZ-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.78
Rot. Bonds2

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

[7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol (PubChem CID 165475488) has the molecular formula C8H12F2N4O and a molecular weight of 218.21 g/mol. Its IUPAC name is [7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
PubChem CID165475488
Molecular FormulaC8H12F2N4O
Molecular Weight218.21 g/mol
Exact Mass218.10
IUPAC Name[7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
SMILESCC1CC(C(F)F)n2nc(CO)nc2N1
InChIInChI=1S/C8H12F2N4O/c1-4-2-5(7(9)10)14-8(11-4)12-6(3-15)13-14/h4-5,7,15H,2-3H2,1H3,(H,11,12,13)
InChIKeyCCEOLYPYOFWPCZ-UHFFFAOYSA-N
XLogP0.78
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [7-(difluoromethyl)-5-methyl-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 [7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol?
The IUPAC name of [7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol (CID 165475488) is [7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol.
What is the SMILES notation for [7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol?
The canonical SMILES for [7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol is CC1CC(C(F)F)n2nc(CO)nc2N1.
What is the InChIKey of [7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol?
The InChIKey is CCEOLYPYOFWPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O/c1-4-2-5(7(9)10)14-8(11-4)12-6(3-15)13-14/h4-5,7,15H,2-3H2,1H3,(H,11,12,13).
What are the key properties of [7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol?
[7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol has a molecular weight of 218.21 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol is sourced from PubChem (CID 165475488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).