7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine

C13H18BrN5 — CID 116990080

IUPAC7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(Cc1nc2cc(Br)ccn2n1)N1CCNCC1
InChIInChI=1S/C13H18BrN5/c1-10(18-6-3-15-4-7-18)8-12-16-13-9-11(14)2-5-19(13)17-12/h2,5,9-10,15H,3-4,6-8H2,1H3
InChIKeyGOAMCNJCXPADQI-UHFFFAOYSA-N
MW324.23 g/mol
LogP1.33
Rot. Bonds3

About 7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine

7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 116990080) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is 7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID116990080
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(Cc1nc2cc(Br)ccn2n1)N1CCNCC1
InChIInChI=1S/C13H18BrN5/c1-10(18-6-3-15-4-7-18)8-12-16-13-9-11(14)2-5-19(13)17-12/h2,5,9-10,15H,3-4,6-8H2,1H3
InChIKeyGOAMCNJCXPADQI-UHFFFAOYSA-N
XLogP1.33
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990026
5-methyl-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989562
3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid
CID 116990016
1-[1-(3-bromophenyl)propan-2-yl]piperazine
CID 82024249
7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989716
7-methyl-2-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989776
1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine
CID 116960927
methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate
CID 116990029
2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117257850
2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116990013
7-bromo-2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83844620
2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 141379099

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 116990080) is 7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine is CC(Cc1nc2cc(Br)ccn2n1)N1CCNCC1.
What is the InChIKey of 7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GOAMCNJCXPADQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-10(18-6-3-15-4-7-18)8-12-16-13-9-11(14)2-5-19(13)17-12/h2,5,9-10,15H,3-4,6-8H2,1H3.
What are the key properties of 7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine?
7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 324.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 116990080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).