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13490-32-9 molecular structure
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(Z)-4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide

ChemBase ID: 14091
Molecular Formular: C3H5N5O2
Molecular Mass: 143.1041
Monoisotopic Mass: 143.04432443
SMILES and InChIs

SMILES:
c1(c(non1)N)/C(=N/O)/N
Canonical SMILES:
N/C(=N\O)/c1nonc1N
InChI:
InChI=1S/C3H5N5O2/c4-2(6-9)1-3(5)8-10-7-1/h9H,(H2,4,6)(H2,5,8)
InChIKey:
DNFUTAVRGAVUKE-UHFFFAOYSA-N

Cite this record

CBID:14091 http://www.chembase.cn/molecule-14091.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(Z)-4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
IUPAC Traditional name
(Z)-4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
Synonyms
(Z)-4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
4-Amino-3-furazanecarboxamidoxime
CAS Number
13490-32-9
MDL Number
MFCD00186407
PubChem SID
160977398
PubChem CID
5367988

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5367988 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.0459557  H Acceptors
H Donor LogD (pH = 5.5) -1.4774475 
LogD (pH = 7.4) -2.7026842  Log P -1.3692403 
Molar Refractivity 34.0927 cm3 Polarizability 11.265609 Å3
Polar Surface Area 123.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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