Home > Compound List > Compound details
303145-64-4 molecular structure
click picture or here to close

7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

ChemBase ID: 40015
Molecular Formular: C12H11N5O
Molecular Mass: 241.24864
Monoisotopic Mass: 241.09636
SMILES and InChIs

SMILES:
n12c(nc(n1)N)nccc2c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)c1ccnc2n1nc(n2)N
InChI:
InChI=1S/C12H11N5O/c1-18-9-4-2-8(3-5-9)10-6-7-14-12-15-11(13)16-17(10)12/h2-7H,1H3,(H2,13,16)
InChIKey:
LFNANGNCPMAQIT-UHFFFAOYSA-N

Cite this record

CBID:40015 http://www.chembase.cn/molecule-40015.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
IUPAC Traditional name
7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Synonyms
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]-pyrimidin-2-amine
7-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CAS Number
303145-64-4
MDL Number
MFCD00232449
PubChem SID
162044778
PubChem CID
2767333

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2767333 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.832407  H Acceptors
H Donor LogD (pH = 5.5) 1.4719429 
LogD (pH = 7.4) 1.4719676  Log P 1.4719679 
Molar Refractivity 79.7282 cm3 Polarizability 26.104118 Å3
Polar Surface Area 78.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
242 - 244 °C expand Show data source
242-244°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>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