2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline

C14H17FN4O — CID 83966816

IUPAC2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESCCOc1ccc(-c2nc3n(n2)CC(F)CC3)cc1N
InChIInChI=1S/C14H17FN4O/c1-2-20-12-5-3-9(7-11(12)16)14-17-13-6-4-10(15)8-19(13)18-14/h3,5,7,10H,2,4,6,8,16H2,1H3
InChIKeyJYSQGXRGANHODJ-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.21
Rot. Bonds3

About 2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline

2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (PubChem CID 83966816) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.

Molecular Properties

Compound Name2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
PubChem CID83966816
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESCCOc1ccc(-c2nc3n(n2)CC(F)CC3)cc1N
InChIInChI=1S/C14H17FN4O/c1-2-20-12-5-3-9(7-11(12)16)14-17-13-6-4-10(15)8-19(13)18-14/h3,5,7,10H,2,4,6,8,16H2,1H3
InChIKeyJYSQGXRGANHODJ-UHFFFAOYSA-N
XLogP2.21
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The IUPAC name of 2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (CID 83966816) is 2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.
What is the SMILES notation for 2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The canonical SMILES for 2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is CCOc1ccc(-c2nc3n(n2)CC(F)CC3)cc1N.
What is the InChIKey of 2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The InChIKey is JYSQGXRGANHODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-2-20-12-5-3-9(7-11(12)16)14-17-13-6-4-10(15)8-19(13)18-14/h3,5,7,10H,2,4,6,8,16H2,1H3.
What are the key properties of 2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline has a molecular weight of 276.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is sourced from PubChem (CID 83966816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).