methyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

C17H17N3O3 — CID 82565444

IUPACmethyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOCCc1nc2c(C(=O)OC)cc(-c3ccccc3)cn2n1
InChIInChI=1S/C17H17N3O3/c1-22-9-8-15-18-16-14(17(21)23-2)10-13(11-20(16)19-15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyOTIZVQCZBJRGDV-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.37
Rot. Bonds5

About methyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

methyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 82565444) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID82565444
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Namemethyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOCCc1nc2c(C(=O)OC)cc(-c3ccccc3)cn2n1
InChIInChI=1S/C17H17N3O3/c1-22-9-8-15-18-16-14(17(21)23-2)10-13(11-20(16)19-15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyOTIZVQCZBJRGDV-UHFFFAOYSA-N
XLogP2.37
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate with MolForge

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Related Compounds

methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565449
2-(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565577
methyl 2-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565414
methyl 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567227
ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate
CID 142291792
methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82555209
methyl 2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117136907
2-(2-methoxyethyl)-5-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 82565356
methyl 2-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258112
methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258105
methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate
CID 134833852
2-amino-5-phenylbenzoic acid;methyl 2-amino-5-phenylbenzoate
CID 159000318

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 82565444) is methyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is COCCc1nc2c(C(=O)OC)cc(-c3ccccc3)cn2n1.
What is the InChIKey of methyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is OTIZVQCZBJRGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-9-8-15-18-16-14(17(21)23-2)10-13(11-20(16)19-15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of methyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
methyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 82565444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).