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

C16H15N3O3 — CID 117258105

IUPACmethyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2nc(COc3ccc(C)cc3)nc12
InChIInChI=1S/C16H15N3O3/c1-11-5-7-12(8-6-11)22-10-14-17-15-13(16(20)21-2)4-3-9-19(15)18-14/h3-9H,10H2,1-2H3
InChIKeyHECMDMPKWRONGT-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.40
Rot. Bonds4

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

methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 117258105) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID117258105
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Namemethyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2nc(COc3ccc(C)cc3)nc12
InChIInChI=1S/C16H15N3O3/c1-11-5-7-12(8-6-11)22-10-14-17-15-13(16(20)21-2)4-3-9-19(15)18-14/h3-9H,10H2,1-2H3
InChIKeyHECMDMPKWRONGT-UHFFFAOYSA-N
XLogP2.40
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 2-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258112
2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117258087
8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258015
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256766
methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117137744
methyl 2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117136907
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258014
8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 83965801
methyl 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257483
methyl 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257964
methyl 2-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82566999

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 117258105) is methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is COC(=O)c1cccn2nc(COc3ccc(C)cc3)nc12.
What is the InChIKey of methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is HECMDMPKWRONGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-11-5-7-12(8-6-11)22-10-14-17-15-13(16(20)21-2)4-3-9-19(15)18-14/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117258105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).