8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

C15H13N3O2 — CID 171676127

IUPAC8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2cccc3c2OCCO3)c2ncnn2c1
InChIInChI=1S/C15H13N3O2/c1-10-7-12(15-16-9-17-18(15)8-10)11-3-2-4-13-14(11)20-6-5-19-13/h2-4,7-9H,5-6H2,1H3
InChIKeyVQIOLSZMJJZCTG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.48
Rot. Bonds1

About 8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 171676127) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID171676127
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2cccc3c2OCCO3)c2ncnn2c1
InChIInChI=1S/C15H13N3O2/c1-10-7-12(15-16-9-17-18(15)8-10)11-3-2-4-13-14(11)20-6-5-19-13/h2-4,7-9H,5-6H2,1H3
InChIKeyVQIOLSZMJJZCTG-UHFFFAOYSA-N
XLogP2.48
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 171676127) is 8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2cccc3c2OCCO3)c2ncnn2c1.
What is the InChIKey of 8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is VQIOLSZMJJZCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-7-12(15-16-9-17-18(15)8-10)11-3-2-4-13-14(11)20-6-5-19-13/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 267.29 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 171676127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).