2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

C13H17N3O2 — CID 68516291

IUPAC2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2c(C3(CC)OCCO3)cccn2n1
InChIInChI=1S/C13H17N3O2/c1-3-11-14-12-10(6-5-7-16(12)15-11)13(4-2)17-8-9-18-13/h5-7H,3-4,8-9H2,1-2H3
InChIKeyWQWXBBLLJUTUCH-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.90
Rot. Bonds3

About 2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 68516291) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID68516291
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2c(C3(CC)OCCO3)cccn2n1
InChIInChI=1S/C13H17N3O2/c1-3-11-14-12-10(6-5-7-16(12)15-11)13(4-2)17-8-9-18-13/h5-7H,3-4,8-9H2,1-2H3
InChIKeyWQWXBBLLJUTUCH-UHFFFAOYSA-N
XLogP1.90
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 68516291) is 2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is CCc1nc2c(C3(CC)OCCO3)cccn2n1.
What is the InChIKey of 2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WQWXBBLLJUTUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-11-14-12-10(6-5-7-16(12)15-11)13(4-2)17-8-9-18-13/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 247.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-(2-ethyl-1,3-dioxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 68516291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).