3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C16H14Cl2N4O2 — CID 134791435

IUPAC3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2nnc(-c3ccc(Cl)cc3Cl)n2c1
InChIInChI=1S/C16H14Cl2N4O2/c1-24-7-6-19-16(23)10-2-5-14-20-21-15(22(14)9-10)12-4-3-11(17)8-13(12)18/h2-5,8-9H,6-7H2,1H3,(H,19,23)
InChIKeyYHLKMKZDBQMYNO-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.08
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134791435) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134791435
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC Name3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2nnc(-c3ccc(Cl)cc3Cl)n2c1
InChIInChI=1S/C16H14Cl2N4O2/c1-24-7-6-19-16(23)10-2-5-14-20-21-15(22(14)9-10)12-4-3-11(17)8-13(12)18/h2-5,8-9H,6-7H2,1H3,(H,19,23)
InChIKeyYHLKMKZDBQMYNO-UHFFFAOYSA-N
XLogP3.08
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134791435) is 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COCCNC(=O)c1ccc2nnc(-c3ccc(Cl)cc3Cl)n2c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is YHLKMKZDBQMYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c1-24-7-6-19-16(23)10-2-5-14-20-21-15(22(14)9-10)12-4-3-11(17)8-13(12)18/h2-5,8-9H,6-7H2,1H3,(H,19,23).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 365.22 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134791435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).