methyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate

C14H12N4O3 — CID 110455111

IUPACmethyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nc3ccc(O)cn3n2)cc1
InChIInChI=1S/C14H12N4O3/c1-21-13(20)9-2-4-10(5-3-9)15-14-16-12-7-6-11(19)8-18(12)17-14/h2-8,19H,1H3,(H,15,17)
InChIKeyFLOSIHPFHPKBON-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.97
Rot. Bonds3

About methyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate

methyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate (PubChem CID 110455111) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is methyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate
PubChem CID110455111
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Namemethyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nc3ccc(O)cn3n2)cc1
InChIInChI=1S/C14H12N4O3/c1-21-13(20)9-2-4-10(5-3-9)15-14-16-12-7-6-11(19)8-18(12)17-14/h2-8,19H,1H3,(H,15,17)
InChIKeyFLOSIHPFHPKBON-UHFFFAOYSA-N
XLogP1.97
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate with MolForge

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Related Compounds

methyl 2-chloro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 130871543
methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 166392936
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methylphenol
CID 141301377
methyl 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567227
methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567225
CID 159177716
CID 159177716
methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567251
methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117257789
methyl 4-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878805
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567260
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate?
The IUPAC name of methyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate (CID 110455111) is methyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate.
What is the SMILES notation for methyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate?
The canonical SMILES for methyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate is COC(=O)c1ccc(Nc2nc3ccc(O)cn3n2)cc1.
What is the InChIKey of methyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate?
The InChIKey is FLOSIHPFHPKBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-21-13(20)9-2-4-10(5-3-9)15-14-16-12-7-6-11(19)8-18(12)17-14/h2-8,19H,1H3,(H,15,17).
What are the key properties of methyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate?
methyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate has a molecular weight of 284.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate is sourced from PubChem (CID 110455111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).