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3775-60-8 molecular structure
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1,3,4-oxadiazol-2-amine

ChemBase ID: 116126
Molecular Formular: C2H3N3O
Molecular Mass: 85.06472
Monoisotopic Mass: 85.02761173
SMILES and InChIs

SMILES:
c1(nnco1)N
Canonical SMILES:
Nc1nnco1
InChI:
InChI=1S/C2H3N3O/c3-2-5-4-1-6-2/h1H,(H2,3,5)
InChIKey:
APKZPKINPXTSNL-UHFFFAOYSA-N

Cite this record

CBID:116126 http://www.chembase.cn/molecule-116126.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3,4-oxadiazol-2-amine
IUPAC Traditional name
2-amino-1,3,4-oxadiazole
Synonyms
1,3,4-oxadiazol-2-amine
CAS Number
3775-60-8
MDL Number
MFCD17677516
PubChem SID
162100950
PubChem CID
239787

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 239787 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.715347  H Acceptors
H Donor LogD (pH = 5.5) -1.1899908 
LogD (pH = 7.4) -1.1900102  Log P -1.1899904 
Molar Refractivity 21.1573 cm3 Polarizability 6.7441244 Å3
Polar Surface Area 64.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
0.539 expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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