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

C8H11F2N3O — CID 96541376

IUPAC[(6S)-3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESOC[C@H]1CCc2nnc(C(F)F)n2C1
InChIInChI=1S/C8H11F2N3O/c9-7(10)8-12-11-6-2-1-5(4-14)3-13(6)8/h5,7,14H,1-4H2/t5-/m0/s1
InChIKeyBICGQXHESLPYMP-YFKPBYRVSA-N
MW203.19 g/mol
LogP0.77
Rot. Bonds2

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

[(6S)-3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (PubChem CID 96541376) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is [(6S)-3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[(6S)-3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
PubChem CID96541376
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name[(6S)-3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESOC[C@H]1CCc2nnc(C(F)F)n2C1
InChIInChI=1S/C8H11F2N3O/c9-7(10)8-12-11-6-2-1-5(4-14)3-13(6)8/h5,7,14H,1-4H2/t5-/m0/s1
InChIKeyBICGQXHESLPYMP-YFKPBYRVSA-N
XLogP0.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(6S)-3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The IUPAC name of [(6S)-3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (CID 96541376) is [(6S)-3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.
What is the SMILES notation for [(6S)-3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The canonical SMILES for [(6S)-3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is OC[C@H]1CCc2nnc(C(F)F)n2C1.
What is the InChIKey of [(6S)-3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The InChIKey is BICGQXHESLPYMP-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11F2N3O/c9-7(10)8-12-11-6-2-1-5(4-14)3-13(6)8/h5,7,14H,1-4H2/t5-/m0/s1.
What are the key properties of [(6S)-3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
[(6S)-3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol has a molecular weight of 203.19 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is sourced from PubChem (CID 96541376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).