3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C10H7BrN4S — CID 63800696

IUPAC3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1ccc2nnc(-c3sccc3Br)n2c1
InChIInChI=1S/C10H7BrN4S/c11-7-3-4-16-9(7)10-14-13-8-2-1-6(12)5-15(8)10/h1-5H,12H2
InChIKeyKYXFHVWARRLESU-UHFFFAOYSA-N
MW295.17 g/mol
LogP2.80
Rot. Bonds1

About 3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 63800696) has the molecular formula C10H7BrN4S and a molecular weight of 295.17 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID63800696
Molecular FormulaC10H7BrN4S
Molecular Weight295.17 g/mol
Exact Mass293.96
IUPAC Name3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1ccc2nnc(-c3sccc3Br)n2c1
InChIInChI=1S/C10H7BrN4S/c11-7-3-4-16-9(7)10-14-13-8-2-1-6(12)5-15(8)10/h1-5H,12H2
InChIKeyKYXFHVWARRLESU-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 3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 63800696) is 3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Nc1ccc2nnc(-c3sccc3Br)n2c1.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is KYXFHVWARRLESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4S/c11-7-3-4-16-9(7)10-14-13-8-2-1-6(12)5-15(8)10/h1-5H,12H2.
What are the key properties of 3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-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 3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 63800696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).