2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C10H11F3N4O — CID 55087933

IUPAC2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCNCC(F)(F)F)nc2ccccn12
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7-14-4-6-17-9(18)16-5-2-1-3-8(16)15-17/h1-3,5,14H,4,6-7H2
InChIKeyNDSCEGSFXONSIT-UHFFFAOYSA-N
MW260.22 g/mol
LogP0.65
Rot. Bonds4

About 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 55087933) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID55087933
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCNCC(F)(F)F)nc2ccccn12
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7-14-4-6-17-9(18)16-5-2-1-3-8(16)15-17/h1-3,5,14H,4,6-7H2
InChIKeyNDSCEGSFXONSIT-UHFFFAOYSA-N
XLogP0.65
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43184095
2-(2-aminoethyl)-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 43184083
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43752801
2-(4-Amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43753219
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 45807619
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 60436301
2-[2-[Methyl(3,3,3-trifluoropropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86842695
1-(2,2-Difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea
CID 100905189
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 113807403
2-(2,2,2-Trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579315
2-(3,3,3-Trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579332
2-(2,2-Difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115980955

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 55087933) is 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCNCC(F)(F)F)nc2ccccn12.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is NDSCEGSFXONSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)7-14-4-6-17-9(18)16-5-2-1-3-8(16)15-17/h1-3,5,14H,4,6-7H2.
What are the key properties of 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 260.22 g/mol, XLogP of 0.65, 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]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 55087933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).