| CAS Number | 1188304-98-4 |
| Catalog Number | AG01BEDG |
| Chemical Name | N3-ethyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-3,5-diamine |
| IUPAC Name | 3-N-ethyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-3,5-diamine |
| InChI | InChI=1S/C13H14N6O/c1-2-15-12-9(10(14)17-18-12)13-16-11(19-20-13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H4,14,15,17,18) |
| InChI Key | SBZPSDULPHZFIB-UHFFFAOYSA-N |
| MDL Number | MFCD28064057 |
| Molecular Formula | C13H14N6O |
| Molecular Weight | 270.2899 |
| SMILES | CCNC1C(C2ON=C(C3=CC=CC=C3)N=2)=C(N)NN=1 |
| Synonyms | 1188304-98-4,
3-N-ethyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-3,5-diamine,
N3-ethyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-3,5-diamine,
ZINC98095653,
AKOS033648930,
Z1889706360,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.296g/mol |
| Monoisotopic Mass | 270.123g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number