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

C20H16N4O2 — CID 82565449

IUPACmethyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)cn2nc(-c3ccc(N)cc3)nc12
InChIInChI=1S/C20H16N4O2/c1-26-20(25)17-11-15(13-5-3-2-4-6-13)12-24-19(17)22-18(23-24)14-7-9-16(21)10-8-14/h2-12H,21H2,1H3
InChIKeyYZYIKOBDTZWMMU-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.43
Rot. Bonds3

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

methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 82565449) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID82565449
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Namemethyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)cn2nc(-c3ccc(N)cc3)nc12
InChIInChI=1S/C20H16N4O2/c1-26-20(25)17-11-15(13-5-3-2-4-6-13)12-24-19(17)22-18(23-24)14-7-9-16(21)10-8-14/h2-12H,21H2,1H3
InChIKeyYZYIKOBDTZWMMU-UHFFFAOYSA-N
XLogP3.43
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565444
2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565894
methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565479
methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82566978
2-amino-5-phenylbenzoic acid;methyl 2-amino-5-phenylbenzoate
CID 159000318
methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82555209
methyl 2-amino-4-phenylbenzoate
CID 53412316
methyl 4-amino-6-phenylquinoline-3-carboxylate
CID 102614814
methyl 4-amino-2-phenylbenzoate
CID 15406988
2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565550
methyl 2-(4-aminophenyl)-4-methylpyrimidine-5-carboxylate
CID 100802255
methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565525

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 82565449) is methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is COC(=O)c1cc(-c2ccccc2)cn2nc(-c3ccc(N)cc3)nc12.
What is the InChIKey of methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is YZYIKOBDTZWMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-26-20(25)17-11-15(13-5-3-2-4-6-13)12-24-19(17)22-18(23-24)14-7-9-16(21)10-8-14/h2-12H,21H2,1H3.
What are the key properties of methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 82565449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).