| CAS Number | 938459-10-0 |
| Catalog Number | AG00GVR6(AGN-PC-0WB3OR) |
| Chemical Name | 1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine |
| IUPAC Name | 5-methyl-1-propan-2-yl-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C6H12N4/c1-4(2)10-5(3)8-6(7)9-10/h4H,1-3H3,(H2,7,9) |
| InChI Key | UVRLGILFHWSWKE-UHFFFAOYSA-N |
| MDL Number | MFCD09055360 |
| Molecular Formula | C6H12N4 |
| Molecular Weight | 140.1863 |
| SMILES | N1C(N)=NN(C(C)C)C=1C |
| Synonyms | 1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine,
938459-10-0,
5-Methyl-1-(propan-2-yl)-1H-1,2,4-triazol-3-amine,
SCHEMBL12341466,
CTK5H3518,
DTXSID90650917,
MFCD09055360,
ZINC19090909,
AKOS006280785,
AJ-71502,
DA-18641,
FT-0741098,
Y-5179,
1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine, AldrichCPR,
|
| 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
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P301+P310
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number