Home > Compound List > Compound details
882521-63-3 molecular structure
click picture or here to close

7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine

ChemBase ID: 276148
Molecular Formular: C6H5BrN4
Molecular Mass: 213.0347
Monoisotopic Mass: 211.96975818
SMILES and InChIs

SMILES:
n1c2n(nc1N)ccc(c2)Br
Canonical SMILES:
Brc1ccn2c(c1)nc(n2)N
InChI:
InChI=1S/C6H5BrN4/c7-4-1-2-11-5(3-4)9-6(8)10-11/h1-3H,(H2,8,10)
InChIKey:
DAYYXZOMYRSLBX-UHFFFAOYSA-N

Cite this record

CBID:276148 http://www.chembase.cn/molecule-276148.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine
IUPAC Traditional name
7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Synonyms
7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CAS Number
882521-63-3
MDL Number
MFCD11846606
PubChem SID
164332058
PubChem CID
54594025

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 54594025 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.324708  H Acceptors
H Donor LogD (pH = 5.5) 1.782651 
LogD (pH = 7.4) 1.7834101  Log P 1.7834198 
Molar Refractivity 57.0209 cm3 Polarizability 16.499552 Å3
Polar Surface Area 56.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.075 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle