8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H17BrN4O — CID 83028332

IUPAC8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC1(C)CC(Nc2nc3c(Br)cccn3n2)CCO1
InChIInChI=1S/C13H17BrN4O/c1-13(2)8-9(5-7-19-13)15-12-16-11-10(14)4-3-6-18(11)17-12/h3-4,6,9H,5,7-8H2,1-2H3,(H,15,17)
InChIKeyRRJZZLZXEGIPAN-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.86
Rot. Bonds2

About 8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 83028332) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID83028332
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC1(C)CC(Nc2nc3c(Br)cccn3n2)CCO1
InChIInChI=1S/C13H17BrN4O/c1-13(2)8-9(5-7-19-13)15-12-16-11-10(14)4-3-6-18(11)17-12/h3-4,6,9H,5,7-8H2,1-2H3,(H,15,17)
InChIKeyRRJZZLZXEGIPAN-UHFFFAOYSA-N
XLogP2.86
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 83028332) is 8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC1(C)CC(Nc2nc3c(Br)cccn3n2)CCO1.
What is the InChIKey of 8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is RRJZZLZXEGIPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-13(2)8-9(5-7-19-13)15-12-16-11-10(14)4-3-6-18(11)17-12/h3-4,6,9H,5,7-8H2,1-2H3,(H,15,17).
What are the key properties of 8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 325.21 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 83028332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).