2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C10H15F3N4O — CID 55155921

IUPAC2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCNCC(F)(F)F)nc2n1CCCC2
InChIInChI=1S/C10H15F3N4O/c11-10(12,13)7-14-4-6-17-9(18)16-5-2-1-3-8(16)15-17/h14H,1-7H2
InChIKeyOAXGZNVEKJMQDV-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.53
Rot. Bonds4

About 2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 55155921) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID55155921
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCNCC(F)(F)F)nc2n1CCCC2
InChIInChI=1S/C10H15F3N4O/c11-10(12,13)7-14-4-6-17-9(18)16-5-2-1-3-8(16)15-17/h14H,1-7H2
InChIKeyOAXGZNVEKJMQDV-UHFFFAOYSA-N
XLogP0.53
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 55155921) is 2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCNCC(F)(F)F)nc2n1CCCC2.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is OAXGZNVEKJMQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c11-10(12,13)7-14-4-6-17-9(18)16-5-2-1-3-8(16)15-17/h14H,1-7H2.
What are the key properties of 2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 264.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 55155921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).