Home > Compound List > Compound details
885949-41-7 molecular structure
click picture or here to close

7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

ChemBase ID: 41767
Molecular Formular: C8H9N5
Molecular Mass: 175.19056
Monoisotopic Mass: 175.08579531
SMILES and InChIs

SMILES:
n12c(nc(n1)N)nccc2C1CC1
Canonical SMILES:
Nc1nn2c(n1)nccc2C1CC1
InChI:
InChI=1S/C8H9N5/c9-7-11-8-10-4-3-6(5-1-2-5)13(8)12-7/h3-5H,1-2H2,(H2,9,12)
InChIKey:
RQSNDLLGHDLGLT-UHFFFAOYSA-N

Cite this record

CBID:41767 http://www.chembase.cn/molecule-41767.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
IUPAC Traditional name
7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Synonyms
7-Cyclopropyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
7-Cyclopropyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
2-Amino-7-cyclopropyl[1,2,4]triazolo[1,5-a]pyrimidine
CAS Number
885949-41-7
MDL Number
MFCD07366548
PubChem SID
162046530
PubChem CID
2764108

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2764108 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.851606  H Acceptors
H Donor LogD (pH = 5.5) 0.685713 
LogD (pH = 7.4) 0.6857429  Log P 0.6857433 
Molar Refractivity 60.5944 cm3 Polarizability 17.399197 Å3
Polar Surface Area 69.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
235 - 237 °C expand Show data source
235-237°C expand Show data source
Storage Warning
IRRITANT expand Show data source
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
>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