| CAS Number | 1269152-62-6 |
| Catalog Number | AG01AGSA(AGN-PC-0WO8PK) |
| Chemical Name | 1-methyl-3-(propan-2-yl)-1H-1,2,4-triazol-5-amine |
| IUPAC Name | 2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C6H12N4/c1-4(2)5-8-6(7)10(3)9-5/h4H,1-3H3,(H2,7,8,9) |
| InChI Key | VCTVUJOTOJYMIS-UHFFFAOYSA-N |
| MDL Number | MFCD16858925 |
| Molecular Formula | C6H12N4 |
| Molecular Weight | 140.1863 |
| SMILES | CC(C1=NN(C)C(N)=N1)C |
| Synonyms | 1-methyl-3-(propan-2-yl)-1H-1,2,4-triazol-5-amine,
1269152-62-6,
AC1Q1OXW,
ZINC54697892,
AKOS012015625,
MCULE-6747543583,
NE47719,
EN300-72686,
Z1266854838,
|
| Complexity | 114 |
| 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 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number