3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile

C16H14FN5O — CID 122540369

IUPAC3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESCOCCNc1cc(-c2ccc(C#N)cc2F)n2ncnc2c1
InChIInChI=1S/C16H14FN5O/c1-23-5-4-19-12-7-15(22-16(8-12)20-10-21-22)13-3-2-11(9-18)6-14(13)17/h2-3,6-8,10,19H,4-5H2,1H3
InChIKeyDYBVVKHTQNXUPV-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.47
Rot. Bonds5

About 3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile

3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (PubChem CID 122540369) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
PubChem CID122540369
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESCOCCNc1cc(-c2ccc(C#N)cc2F)n2ncnc2c1
InChIInChI=1S/C16H14FN5O/c1-23-5-4-19-12-7-15(22-16(8-12)20-10-21-22)13-3-2-11(9-18)6-14(13)17/h2-3,6-8,10,19H,4-5H2,1H3
InChIKeyDYBVVKHTQNXUPV-UHFFFAOYSA-N
XLogP2.47
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The IUPAC name of 3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (CID 122540369) is 3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is COCCNc1cc(-c2ccc(C#N)cc2F)n2ncnc2c1.
What is the InChIKey of 3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The InChIKey is DYBVVKHTQNXUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-23-5-4-19-12-7-15(22-16(8-12)20-10-21-22)13-3-2-11(9-18)6-14(13)17/h2-3,6-8,10,19H,4-5H2,1H3.
What are the key properties of 3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile has a molecular weight of 311.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 122540369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).