| CAS Number | 1170460-87-3 |
| Catalog Number | AG0191MX(AGN-PC-0WBQ9H) |
| Chemical Name | 5-(1,5-dimethyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C7H9N5O/c1-4-3-5(11-12(4)2)6-9-10-7(8)13-6/h3H,1-2H3,(H2,8,10) |
| InChI Key | IJJYBMUCTIEDNE-UHFFFAOYSA-N |
| MDL Number | MFCD11986947 |
| Molecular Formula | C7H9N5O |
| Molecular Weight | 179.1793 |
| SMILES | CC1N(C)N=C(C2OC(N)=NN=2)C=1 |
| Synonyms | 5-(1,5-dimethyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-amine,
1170460-87-3,
DTXSID20652808,
AOD100383,
ZINC26423853,
AKOS005208398,
MCULE-8327351413,
L-3539,
F2182-0009,
5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.183g/mol |
| Monoisotopic Mass | 179.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number