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

C10H11F6N3O — CID 103312949

IUPAC[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nnc(C(C(F)(F)F)C(F)(F)F)n2C1
InChIInChI=1S/C10H11F6N3O/c11-9(12,13)7(10(14,15)16)8-18-17-6-2-1-5(4-20)3-19(6)8/h5,7,20H,1-4H2
InChIKeyYGNMVQJUPVRCGO-UHFFFAOYSA-N
MW303.21 g/mol
LogP2.04
Rot. Bonds2

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

[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (PubChem CID 103312949) has the molecular formula C10H11F6N3O and a molecular weight of 303.21 g/mol. Its IUPAC name is [3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
PubChem CID103312949
Molecular FormulaC10H11F6N3O
Molecular Weight303.21 g/mol
Exact Mass303.08
IUPAC Name[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nnc(C(C(F)(F)F)C(F)(F)F)n2C1
InChIInChI=1S/C10H11F6N3O/c11-9(12,13)7(10(14,15)16)8-18-17-6-2-1-5(4-20)3-19(6)8/h5,7,20H,1-4H2
InChIKeyYGNMVQJUPVRCGO-UHFFFAOYSA-N
XLogP2.04
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The IUPAC name of [3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (CID 103312949) is [3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.
What is the SMILES notation for [3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The canonical SMILES for [3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is OCC1CCc2nnc(C(C(F)(F)F)C(F)(F)F)n2C1.
What is the InChIKey of [3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The InChIKey is YGNMVQJUPVRCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N3O/c11-9(12,13)7(10(14,15)16)8-18-17-6-2-1-5(4-20)3-19(6)8/h5,7,20H,1-4H2.
What are the key properties of [3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol has a molecular weight of 303.21 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is sourced from PubChem (CID 103312949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).