| CAS Number | 868696-41-7 |
| Catalog Number | AG00GVXA(AGN-PC-0WB5SV) |
| Chemical Name | 5-isopropyl-1,2,4-oxadiazol-3-amine |
| IUPAC Name | 5-propan-2-yl-1,2,4-oxadiazol-3-amine |
| InChI | InChI=1S/C5H9N3O/c1-3(2)4-7-5(6)8-9-4/h3H,1-2H3,(H2,6,8) |
| InChI Key | CVNFBRSKRMWWGV-UHFFFAOYSA-N |
| MDL Number | MFCD11847811 |
| Molecular Formula | C5H9N3O |
| Molecular Weight | 127.1445 |
| SMILES | N1C(N)=NOC=1C(C)C |
| Synonyms | 5-ISOPROPYL-1,2,4-OXADIAZOL-3-AMINE,
868696-41-7,
5-(propan-2-yl)-1,2,4-oxadiazol-3-amine,
SCHEMBL8006674,
ALBB-032161,
MFCD11847811,
ZINC49584925,
AKOS013003533,
SC-29652,
AJ-111188,
Y-6882,
5-isopropyl-1,2,4-oxadiazol-3-amine(SALTDATA,
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| Complexity | 96.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.147g/mol |
| Monoisotopic Mass | 127.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number