ethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate

C15H15N5O3 — CID 170633698

IUPACethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nnn2cc(-c3ccn(C4COC4)n3)ccc12
InChIInChI=1S/C15H15N5O3/c1-2-23-15(21)14-13-4-3-10(7-20(13)18-16-14)12-5-6-19(17-12)11-8-22-9-11/h3-7,11H,2,8-9H2,1H3
InChIKeyUCFATRCXNZGVCT-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.34
Rot. Bonds4

About ethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate

ethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 170633698) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is ethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate
PubChem CID170633698
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Nameethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nnn2cc(-c3ccn(C4COC4)n3)ccc12
InChIInChI=1S/C15H15N5O3/c1-2-23-15(21)14-13-4-3-10(7-20(13)18-16-14)12-5-6-19(17-12)11-8-22-9-11/h3-7,11H,2,8-9H2,1H3
InChIKeyUCFATRCXNZGVCT-UHFFFAOYSA-N
XLogP1.34
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate (CID 170633698) is ethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1nnn2cc(-c3ccn(C4COC4)n3)ccc12.
What is the InChIKey of ethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is UCFATRCXNZGVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-2-23-15(21)14-13-4-3-10(7-20(13)18-16-14)12-5-6-19(17-12)11-8-22-9-11/h3-7,11H,2,8-9H2,1H3.
What are the key properties of ethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate?
ethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 313.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 170633698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).