7-bromo-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C10H7BrN4S — CID 18313700

IUPAC7-bromo-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cc(Br)cc2nc(-c3cccs3)nn12
InChIInChI=1S/C10H7BrN4S/c11-6-4-8(12)15-9(5-6)13-10(14-15)7-2-1-3-16-7/h1-5H,12H2
InChIKeyJAWBTVZPIRFSDU-UHFFFAOYSA-N
MW295.17 g/mol
LogP2.80
Rot. Bonds1

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

7-bromo-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 18313700) has the molecular formula C10H7BrN4S and a molecular weight of 295.17 g/mol. Its IUPAC name is 7-bromo-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name7-bromo-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID18313700
Molecular FormulaC10H7BrN4S
Molecular Weight295.17 g/mol
Exact Mass293.96
IUPAC Name7-bromo-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cc(Br)cc2nc(-c3cccs3)nn12
InChIInChI=1S/C10H7BrN4S/c11-6-4-8(12)15-9(5-6)13-10(14-15)7-2-1-3-16-7/h1-5H,12H2
InChIKeyJAWBTVZPIRFSDU-UHFFFAOYSA-N
XLogP2.80
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 7-bromo-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 18313700) is 7-bromo-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 7-bromo-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 7-bromo-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Nc1cc(Br)cc2nc(-c3cccs3)nn12.
What is the InChIKey of 7-bromo-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is JAWBTVZPIRFSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4S/c11-6-4-8(12)15-9(5-6)13-10(14-15)7-2-1-3-16-7/h1-5H,12H2.
What are the key properties of 7-bromo-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
7-bromo-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 295.17 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 18313700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).