| CAS Number | 1553431-50-7 |
| Catalog Number | AG01DVN1 |
| Chemical Name | 3-cyclopropyl-4-phenyl-4H-1,2,4-triazole |
| IUPAC Name | 3-cyclopropyl-4-phenyl-1,2,4-triazole |
| InChI | InChI=1S/C11H11N3/c1-2-4-10(5-3-1)14-8-12-13-11(14)9-6-7-9/h1-5,8-9H,6-7H2 |
| InChI Key | ZWXFRSZZZMRONH-UHFFFAOYSA-N |
| MDL Number | MFCD24196728 |
| Molecular Formula | C11H11N3 |
| Molecular Weight | 185.2251 |
| SMILES | C1C(C2N(C3=CC=CC=C3)C=NN=2)C1 |
| Synonyms | 3-CYCLOPROPYL-4-PHENYL-4H-1,2,4-TRIAZOLE,
1553431-50-7,
AKOS034140271,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.23g/mol |
| Monoisotopic Mass | 185.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number