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

C16H17FN4O — CID 92846206

IUPAC2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC[C@@H](NCCn1nc2ccccn2c1=O)c1ccccc1F
InChIInChI=1S/C16H17FN4O/c1-12(13-6-2-3-7-14(13)17)18-9-11-21-16(22)20-10-5-4-8-15(20)19-21/h2-8,10,12,18H,9,11H2,1H3/t12-/m1/s1
InChIKeyPPURZQMGLZWZMW-GFCCVEGCSA-N
MW300.34 g/mol
LogP1.99
Rot. Bonds5

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

2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 92846206) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID92846206
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC[C@@H](NCCn1nc2ccccn2c1=O)c1ccccc1F
InChIInChI=1S/C16H17FN4O/c1-12(13-6-2-3-7-14(13)17)18-9-11-21-16(22)20-10-5-4-8-15(20)19-21/h2-8,10,12,18H,9,11H2,1H3/t12-/m1/s1
InChIKeyPPURZQMGLZWZMW-GFCCVEGCSA-N
XLogP1.99
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-methyl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]butanoic acid
CID 43468685
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579366
2-[3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 61387565
2-[2-(prop-2-enylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62564034
2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43065476
2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 106800246
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43165993
2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid
CID 43245331
1-[(2R)-butan-2-yl]-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 94796607

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 92846206) is 2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is C[C@@H](NCCn1nc2ccccn2c1=O)c1ccccc1F.
What is the InChIKey of 2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is PPURZQMGLZWZMW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-12(13-6-2-3-7-14(13)17)18-9-11-21-16(22)20-10-5-4-8-15(20)19-21/h2-8,10,12,18H,9,11H2,1H3/t12-/m1/s1.
What are the key properties of 2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 300.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 92846206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).