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

C16H18N4O2 — CID 43065476

IUPAC2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCOc1ccccc1NCCn1nc2ccccn2c1=O
InChIInChI=1S/C16H18N4O2/c1-2-22-14-8-4-3-7-13(14)17-10-12-20-16(21)19-11-6-5-9-15(19)18-20/h3-9,11,17H,2,10,12H2,1H3
InChIKeyVNKLGPJVYIKIQD-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.01
Rot. Bonds6

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

2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43065476) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43065476
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCOc1ccccc1NCCn1nc2ccccn2c1=O
InChIInChI=1S/C16H18N4O2/c1-2-22-14-8-4-3-7-13(14)17-10-12-20-16(21)19-11-6-5-9-15(19)18-20/h3-9,11,17H,2,10,12H2,1H3
InChIKeyVNKLGPJVYIKIQD-UHFFFAOYSA-N
XLogP2.01
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzoate
CID 42955994
2-[2-(4-ethoxybutylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62564723
4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide
CID 51094949
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
2-(6-chlorohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62229478
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
3-methyl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]butanoic acid
CID 43468685
2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 92846206
1-[(2R)-butan-2-yl]-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 94796607
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate
CID 62012002
4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 60537095

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43065476) is 2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCOc1ccccc1NCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is VNKLGPJVYIKIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-22-14-8-4-3-7-13(14)17-10-12-20-16(21)19-11-6-5-9-15(19)18-20/h3-9,11,17H,2,10,12H2,1H3.
What are the key properties of 2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 298.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43065476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).