2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C12H15F3N4O2 — CID 103856884

IUPAC2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCN(CCO)CC(F)(F)F)nc2ccccn12
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)9-17(7-8-20)5-6-19-11(21)18-4-2-1-3-10(18)16-19/h1-4,20H,5-9H2
InChIKeyHJAURMPRLILVAT-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.35
Rot. Bonds6

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

2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 103856884) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID103856884
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCN(CCO)CC(F)(F)F)nc2ccccn12
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)9-17(7-8-20)5-6-19-11(21)18-4-2-1-3-10(18)16-19/h1-4,20H,5-9H2
InChIKeyHJAURMPRLILVAT-UHFFFAOYSA-N
XLogP0.35
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 78962136
2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56583890
2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42954885
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 87019419
methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate
CID 60966575
2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63656448
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115758501
ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate
CID 62012002
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579366
2-(6-chlorohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62229478

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 103856884) is 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCN(CCO)CC(F)(F)F)nc2ccccn12.
What is the InChIKey of 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is HJAURMPRLILVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c13-12(14,15)9-17(7-8-20)5-6-19-11(21)18-4-2-1-3-10(18)16-19/h1-4,20H,5-9H2.
What are the key properties of 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 304.27 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 103856884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).