| CAS Number | 648430-82-4 |
| Catalog Number | AG019ZK0 |
| Chemical Name | ethyl 5-propyl-1H-1,2,4-triazole-3-carboxylate |
| IUPAC Name | ethyl 5-propyl-1H-1,2,4-triazole-3-carboxylate |
| InChI | InChI=1S/C8H13N3O2/c1-3-5-6-9-7(11-10-6)8(12)13-4-2/h3-5H2,1-2H3,(H,9,10,11) |
| InChI Key | RWOZNKGASWPXJH-UHFFFAOYSA-N |
| MDL Number | MFCD18338208 |
| Molecular Formula | C8H13N3O2 |
| Molecular Weight | 183.2077 |
| SMILES | CCCC1NN=C(C(OCC)=O)N=1 |
| Synonyms | ethyl 5-propyl-1H-1,2,4-triazole-3-carboxylate,
648430-82-4,
SCHEMBL17193766,
ZINC71009364,
AKOS012660632,
Z2092370815,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.211g/mol |
| Monoisotopic Mass | 183.101g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number