Home > Compound List > Compound details
13877-56-0 molecular structure
click picture or here to close

1H-pyrazolo[4,3-d]pyrimidin-7-amine

ChemBase ID: 293227
Molecular Formular: C5H5N5
Molecular Mass: 135.1267
Monoisotopic Mass: 135.05449519
SMILES and InChIs

SMILES:
Nc1c2[nH]ncc2ncn1
Canonical SMILES:
Nc1ncnc2c1[nH]nc2
InChI:
InChI=1S/C5H5N5/c6-5-4-3(1-9-10-4)7-2-8-5/h1-2H,(H,9,10)(H2,6,7,8)
InChIKey:
MPDXYVOXVJOKIN-UHFFFAOYSA-N

Cite this record

CBID:293227 http://www.chembase.cn/molecule-293227.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H-pyrazolo[4,3-d]pyrimidin-7-amine
IUPAC Traditional name
1H-pyrazolo[4,3-d]pyrimidin-7-amine
Synonyms
1H-Pyrazolo[4,3-d]pyrimidin-7-amine
CAS Number
13877-56-0
PubChem SID
180678758
PubChem CID
96600

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD251412 Please log in.
Data Source Data ID
PubChem 96600 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.925948  H Acceptors
H Donor LogD (pH = 5.5) -0.475908 
LogD (pH = 7.4) -0.47708184  Log P -0.47582078 
Molar Refractivity 37.3793 cm3 Polarizability 14.007826 Å3
Polar Surface Area 80.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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