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

C12H16BrN5 — CID 116990026

IUPAC7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1ccn2nc(CCN3CCNCC3)nc2c1
InChIInChI=1S/C12H16BrN5/c13-10-1-6-18-12(9-10)15-11(16-18)2-5-17-7-3-14-4-8-17/h1,6,9,14H,2-5,7-8H2
InChIKeyBXFMCFGBXPZGSF-UHFFFAOYSA-N
MW310.20 g/mol
LogP0.94
Rot. Bonds3

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

7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 116990026) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID116990026
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1ccn2nc(CCN3CCNCC3)nc2c1
InChIInChI=1S/C12H16BrN5/c13-10-1-6-18-12(9-10)15-11(16-18)2-5-17-7-3-14-4-8-17/h1,6,9,14H,2-5,7-8H2
InChIKeyBXFMCFGBXPZGSF-UHFFFAOYSA-N
XLogP0.94
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990080
7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989716
2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117257850
7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135577
1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 141379099
4,6-dimethyl-2-(2-piperazin-1-ylethyl)pyrimidine
CID 82472710
7-bromo-2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83844620
methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate
CID 116990029
3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid
CID 116990016
7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134987
1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine
CID 83904098

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 116990026) is 7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine is Brc1ccn2nc(CCN3CCNCC3)nc2c1.
What is the InChIKey of 7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BXFMCFGBXPZGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c13-10-1-6-18-12(9-10)15-11(16-18)2-5-17-7-3-14-4-8-17/h1,6,9,14H,2-5,7-8H2.
What are the key properties of 7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 310.20 g/mol, XLogP of 0.94, 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-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 116990026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).