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

C9H10F3N3O — CID 145225613

IUPAC1-[(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
SMILESCC(=O)c1nc2n(n1)[C@@H](C(F)(F)F)CCC2
InChIInChI=1S/C9H10F3N3O/c1-5(16)8-13-7-4-2-3-6(9(10,11)12)15(7)14-8/h6H,2-4H2,1H3/t6-/m1/s1
InChIKeyGHCYYUHRYTZAJT-ZCFIWIBFSA-N
MW233.19 g/mol
LogP1.92
Rot. Bonds1

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

1-[(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone (PubChem CID 145225613) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-[(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
PubChem CID145225613
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name1-[(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
SMILESCC(=O)c1nc2n(n1)[C@@H](C(F)(F)F)CCC2
InChIInChI=1S/C9H10F3N3O/c1-5(16)8-13-7-4-2-3-6(9(10,11)12)15(7)14-8/h6H,2-4H2,1H3/t6-/m1/s1
InChIKeyGHCYYUHRYTZAJT-ZCFIWIBFSA-N
XLogP1.92
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
The IUPAC name of 1-[(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone (CID 145225613) is 1-[(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone is CC(=O)c1nc2n(n1)[C@@H](C(F)(F)F)CCC2.
What is the InChIKey of 1-[(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
The InChIKey is GHCYYUHRYTZAJT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-5(16)8-13-7-4-2-3-6(9(10,11)12)15(7)14-8/h6H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of 1-[(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
1-[(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone has a molecular weight of 233.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone is sourced from PubChem (CID 145225613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).