| CAS Number | 944896-84-8 |
| Catalog Number | AG01AENR |
| Chemical Name | [5-(Propan-2-YL)-4H-1,2,4-triazol-3-YL]methanamine |
| IUPAC Name | (3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine |
| InChI | InChI=1S/C6H12N4/c1-4(2)6-8-5(3-7)9-10-6/h4H,3,7H2,1-2H3,(H,8,9,10) |
| InChI Key | FRHFXFXZSQDYBC-UHFFFAOYSA-N |
| MDL Number | MFCD10696424 |
| Molecular Formula | C6H12N4 |
| Molecular Weight | 140.1863 |
| SMILES | CC(C1NC(CN)=NN=1)C |
| Synonyms | 944896-84-8,
[5-(PROPAN-2-YL)-4H-1,2,4-TRIAZOL-3-YL]METHANAMINE,
ZINC41058547,
AKOS010591894,
AB57308,
1-(5-ISOPROPYL-4H-1,2,4-TRIAZOL-3-YL)METHANAMINE,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.19g/mol |
| Monoisotopic Mass | 140.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number