[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol

C8H10F3N3O — CID 90300120

IUPAC[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
SMILESOCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)5-1-2-6-12-13-7(4-15)14(6)3-5/h5,15H,1-4H2
InChIKeyXDJALNIFCXZGHK-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.90
Rot. Bonds1

About [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol

[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol (PubChem CID 90300120) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
PubChem CID90300120
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
SMILESOCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)5-1-2-6-12-13-7(4-15)14(6)3-5/h5,15H,1-4H2
InChIKeyXDJALNIFCXZGHK-UHFFFAOYSA-N
XLogP0.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 71756566
{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methanol
CID 66489697
2-(5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-3-yl)ethan-1-ol
CID 83674606
[(6S)-3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 96541376
3-Methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 70575756
6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-A]pyridine-3-carboxylic acid
CID 124178472
6-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 177136128
(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143
1-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol
CID 64579991
3-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-2-ol
CID 80447963
3-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol
CID 80447993
2-Amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
CID 81250562

Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol?
The IUPAC name of [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol (CID 90300120) is [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol.
What is the SMILES notation for [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol?
The canonical SMILES for [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol is OCc1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol?
The InChIKey is XDJALNIFCXZGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)5-1-2-6-12-13-7(4-15)14(6)3-5/h5,15H,1-4H2.
What are the key properties of [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol?
[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol has a molecular weight of 221.18 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol is sourced from PubChem (CID 90300120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).