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

C9H13F3N4O — CID 81251566

IUPAC2-amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
SMILESNC(CO)c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C9H13F3N4O/c10-9(11,12)5-1-2-7-14-15-8(6(13)4-17)16(7)3-5/h5-6,17H,1-4,13H2
InChIKeyFMEBTPXKPKQIPF-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.39
Rot. Bonds2

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

2-amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol (PubChem CID 81251566) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
PubChem CID81251566
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
SMILESNC(CO)c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C9H13F3N4O/c10-9(11,12)5-1-2-7-14-15-8(6(13)4-17)16(7)3-5/h5-6,17H,1-4,13H2
InChIKeyFMEBTPXKPKQIPF-UHFFFAOYSA-N
XLogP0.39
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol?
The IUPAC name of 2-amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol (CID 81251566) is 2-amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol is NC(CO)c1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of 2-amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol?
The InChIKey is FMEBTPXKPKQIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c10-9(11,12)5-1-2-7-14-15-8(6(13)4-17)16(7)3-5/h5-6,17H,1-4,13H2.
What are the key properties of 2-amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol?
2-amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol has a molecular weight of 250.22 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol is sourced from PubChem (CID 81251566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).