ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate

C15H15N5O3 — CID 97032640

IUPACethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1nnc2c(-c3nc(C4CC4)no3)cccn12
InChIInChI=1S/C15H15N5O3/c1-2-22-12(21)8-11-17-18-14-10(4-3-7-20(11)14)15-16-13(19-23-15)9-5-6-9/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyUTAXMMFPTXHYRL-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.76
Rot. Bonds5

About ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate

ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate (PubChem CID 97032640) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate
PubChem CID97032640
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Nameethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1nnc2c(-c3nc(C4CC4)no3)cccn12
InChIInChI=1S/C15H15N5O3/c1-2-22-12(21)8-11-17-18-14-10(4-3-7-20(11)14)15-16-13(19-23-15)9-5-6-9/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyUTAXMMFPTXHYRL-UHFFFAOYSA-N
XLogP1.76
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate?
The IUPAC name of ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate (CID 97032640) is ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate?
The canonical SMILES for ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate is CCOC(=O)Cc1nnc2c(-c3nc(C4CC4)no3)cccn12.
What is the InChIKey of ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate?
The InChIKey is UTAXMMFPTXHYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-2-22-12(21)8-11-17-18-14-10(4-3-7-20(11)14)15-16-13(19-23-15)9-5-6-9/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate?
ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate has a molecular weight of 313.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate is sourced from PubChem (CID 97032640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).