| CAS Number | 1183827-04-4 |
| Catalog Number | AG01C5AQ |
| Chemical Name | 1-(propan-2-yl)-1H-1,2,4-triazol-3-amine |
| IUPAC Name | 1-propan-2-yl-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C5H10N4/c1-4(2)9-3-7-5(6)8-9/h3-4H,1-2H3,(H2,6,8) |
| InChI Key | MYXSAVAFEFCDKG-UHFFFAOYSA-N |
| MDL Number | MFCD12766719 |
| Molecular Formula | C5H10N4 |
| Molecular Weight | 126.1597 |
| SMILES | CC(N1N=C(N)N=C1)C |
| Synonyms | 1-(propan-2-yl)-1H-1,2,4-triazol-3-amine,
1183827-04-4,
SCHEMBL8090568,
ZINC37730084,
AKOS010134962,
Z2429425542,
|
| Complexity | 93 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.163g/mol |
| Monoisotopic Mass | 126.091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number