7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C11H9BrN4S — CID 70105348

IUPAC7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1ccc(-c2nc3cc(Br)cc(N)n3n2)s1
InChIInChI=1S/C11H9BrN4S/c1-6-2-3-8(17-6)11-14-10-5-7(12)4-9(13)16(10)15-11/h2-5H,13H2,1H3
InChIKeyBGWPOZSJBRJXEV-UHFFFAOYSA-N
MW309.19 g/mol
LogP3.11
Rot. Bonds1

About 7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 70105348) has the molecular formula C11H9BrN4S and a molecular weight of 309.19 g/mol. Its IUPAC name is 7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID70105348
Molecular FormulaC11H9BrN4S
Molecular Weight309.19 g/mol
Exact Mass307.97
IUPAC Name7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1ccc(-c2nc3cc(Br)cc(N)n3n2)s1
InChIInChI=1S/C11H9BrN4S/c1-6-2-3-8(17-6)11-14-10-5-7(12)4-9(13)16(10)15-11/h2-5H,13H2,1H3
InChIKeyBGWPOZSJBRJXEV-UHFFFAOYSA-N
XLogP3.11
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 70105348) is 7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1ccc(-c2nc3cc(Br)cc(N)n3n2)s1.
What is the InChIKey of 7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is BGWPOZSJBRJXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4S/c1-6-2-3-8(17-6)11-14-10-5-7(12)4-9(13)16(10)15-11/h2-5H,13H2,1H3.
What are the key properties of 7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 309.19 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 70105348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).