methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate

C15H13N3O3 — CID 9355701

IUPACmethyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate
SMILESCOC(=O)c1ccc(COc2nnc3ccccn23)cc1
InChIInChI=1S/C15H13N3O3/c1-20-14(19)12-7-5-11(6-8-12)10-21-15-17-16-13-4-2-3-9-18(13)15/h2-9H,10H2,1H3
InChIKeyJESHHKQVHMCTOB-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.09
Rot. Bonds4

About methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate

methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate (PubChem CID 9355701) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate
PubChem CID9355701
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Namemethyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate
SMILESCOC(=O)c1ccc(COc2nnc3ccccn23)cc1
InChIInChI=1S/C15H13N3O3/c1-20-14(19)12-7-5-11(6-8-12)10-21-15-17-16-13-4-2-3-9-18(13)15/h2-9H,10H2,1H3
InChIKeyJESHHKQVHMCTOB-UHFFFAOYSA-N
XLogP2.09
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate with MolForge

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Related Compounds

methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzoate
CID 2379528
methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate
CID 9355779
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
methyl 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzoate
CID 705274
methyl 4-[[[ethylamino-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methylidene]amino]methyl]benzoate
CID 111014569
methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate
CID 51293876
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817
methyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 9172369
3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 39031047
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 3-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoate
CID 62850719
methyl 5-[([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]furan-2-carboxylate
CID 43222515

Frequently Asked Questions

What is the IUPAC name of methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate?
The IUPAC name of methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate (CID 9355701) is methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate.
What is the SMILES notation for methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate?
The canonical SMILES for methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate is COC(=O)c1ccc(COc2nnc3ccccn23)cc1.
What is the InChIKey of methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate?
The InChIKey is JESHHKQVHMCTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-14(19)12-7-5-11(6-8-12)10-21-15-17-16-13-4-2-3-9-18(13)15/h2-9H,10H2,1H3.
What are the key properties of methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate?
methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate has a molecular weight of 283.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate is sourced from PubChem (CID 9355701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).