7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C9H6BrN5S — CID 18313557

IUPAC7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cc(Br)cc2nc(-c3nccs3)nn12
InChIInChI=1S/C9H6BrN5S/c10-5-3-6(11)15-7(4-5)13-8(14-15)9-12-1-2-16-9/h1-4H,11H2
InChIKeyJQOXDAWZRUFDCM-UHFFFAOYSA-N
MW296.15 g/mol
LogP2.20
Rot. Bonds1

About 7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 18313557) has the molecular formula C9H6BrN5S and a molecular weight of 296.15 g/mol. Its IUPAC name is 7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID18313557
Molecular FormulaC9H6BrN5S
Molecular Weight296.15 g/mol
Exact Mass294.95
IUPAC Name7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cc(Br)cc2nc(-c3nccs3)nn12
InChIInChI=1S/C9H6BrN5S/c10-5-3-6(11)15-7(4-5)13-8(14-15)9-12-1-2-16-9/h1-4H,11H2
InChIKeyJQOXDAWZRUFDCM-UHFFFAOYSA-N
XLogP2.20
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 18313557) is 7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Nc1cc(Br)cc2nc(-c3nccs3)nn12.
What is the InChIKey of 7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is JQOXDAWZRUFDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN5S/c10-5-3-6(11)15-7(4-5)13-8(14-15)9-12-1-2-16-9/h1-4H,11H2.
What are the key properties of 7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 296.15 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 18313557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).