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

C16H15N5O — CID 122540575

IUPAC4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESCOCCNc1cc(-c2ccc(C#N)cc2)n2ncnc2c1
InChIInChI=1S/C16H15N5O/c1-22-7-6-18-14-8-15(21-16(9-14)19-11-20-21)13-4-2-12(10-17)3-5-13/h2-5,8-9,11,18H,6-7H2,1H3
InChIKeyWGGZDJUYALKJIH-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.33
Rot. Bonds5

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

4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (PubChem CID 122540575) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
PubChem CID122540575
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESCOCCNc1cc(-c2ccc(C#N)cc2)n2ncnc2c1
InChIInChI=1S/C16H15N5O/c1-22-7-6-18-14-8-15(21-16(9-14)19-11-20-21)13-4-2-12(10-17)3-5-13/h2-5,8-9,11,18H,6-7H2,1H3
InChIKeyWGGZDJUYALKJIH-UHFFFAOYSA-N
XLogP2.33
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The IUPAC name of 4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (CID 122540575) is 4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The canonical SMILES for 4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is COCCNc1cc(-c2ccc(C#N)cc2)n2ncnc2c1.
What is the InChIKey of 4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The InChIKey is WGGZDJUYALKJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-22-7-6-18-14-8-15(21-16(9-14)19-11-20-21)13-4-2-12(10-17)3-5-13/h2-5,8-9,11,18H,6-7H2,1H3.
What are the key properties of 4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile has a molecular weight of 293.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 122540575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).