| CAS Number | 1380786-07-1 |
| Catalog Number | AG01A6KS(AGN-PC-0WOCG0) |
| Chemical Name | 1-(tert-Butyl)-1H-1,2,4-triazol-3-amine |
| IUPAC Name | 1-tert-butyl-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C6H12N4/c1-6(2,3)10-4-8-5(7)9-10/h4H,1-3H3,(H2,7,9) |
| InChI Key | BGISKSHLHYGZFQ-UHFFFAOYSA-N |
| MDL Number | MFCD24645678 |
| Molecular Formula | C6H12N4 |
| Molecular Weight | 140.1863 |
| SMILES | CC(N1N=C(N)N=C1)(C)C |
| Synonyms | 1380786-07-1,
1-(tert-Butyl)-1H-1,2,4-triazol-3-amine,
1-tert-butyl-1H-1,2,4-triazol-3-amine,
3-amino-1-tert-butyl-1,2,4-triazole,
SCHEMBL11954947,
MFCD24645678,
ZINC79065559,
AKOS024048321,
MCULE-7433057480,
NE35278,
1-tert-Butyl-1H-1,2,4-triazole-3-amine,
Z1649893065,
|
| Complexity | 117 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.19g/mol |
| Monoisotopic Mass | 140.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number