2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol

C12H11BrN4OS — CID 106435834

IUPAC2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol
SMILESOC(CNc1nc2c(Br)cccn2n1)c1ccsc1
InChIInChI=1S/C12H11BrN4OS/c13-9-2-1-4-17-11(9)15-12(16-17)14-6-10(18)8-3-5-19-7-8/h1-5,7,10,18H,6H2,(H,14,16)
InChIKeyXUCHWYAZSXKBCQ-UHFFFAOYSA-N
MW339.22 g/mol
LogP2.70
Rot. Bonds4

About 2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol

2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol (PubChem CID 106435834) has the molecular formula C12H11BrN4OS and a molecular weight of 339.22 g/mol. Its IUPAC name is 2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol
PubChem CID106435834
Molecular FormulaC12H11BrN4OS
Molecular Weight339.22 g/mol
Exact Mass337.98
IUPAC Name2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol
SMILESOC(CNc1nc2c(Br)cccn2n1)c1ccsc1
InChIInChI=1S/C12H11BrN4OS/c13-9-2-1-4-17-11(9)15-12(16-17)14-6-10(18)8-3-5-19-7-8/h1-5,7,10,18H,6H2,(H,14,16)
InChIKeyXUCHWYAZSXKBCQ-UHFFFAOYSA-N
XLogP2.70
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol with MolForge

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Related Compounds

2-[(6-Fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol
CID 106435634
2-[(3-Thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 126475005
2-[[3-(4-Methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
CID 59662229
N-[(5-bromothiophen-3-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 37656662
N-[(5-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 60744899
N-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 60965431
2-[(5-Propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-thienyl)ethanol
CID 70771397
1-(2-Hydroxy-2-thiophen-3-ylpropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 72128072
1-(6-Chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 75506469
N-[(3-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 78983658
N-[(4-bromothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 80036089
2-[(6-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-phenylethanol
CID 80047833

Frequently Asked Questions

What is the IUPAC name of 2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol (CID 106435834) is 2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol is OC(CNc1nc2c(Br)cccn2n1)c1ccsc1.
What is the InChIKey of 2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol?
The InChIKey is XUCHWYAZSXKBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4OS/c13-9-2-1-4-17-11(9)15-12(16-17)14-6-10(18)8-3-5-19-7-8/h1-5,7,10,18H,6H2,(H,14,16).
What are the key properties of 2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol?
2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol has a molecular weight of 339.22 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106435834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).