| CAS Number | 1157096-49-5 |
| Catalog Number | AG01A9GS(AGN-PC-0WO79J) |
| Chemical Name | 1,3-dimethyl-5-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-4-amine |
| IUPAC Name | 1,3-dimethyl-5-(1,2,4-triazol-1-yl)pyrazol-4-amine |
| InChI | InChI=1S/C7H10N6/c1-5-6(8)7(12(2)11-5)13-4-9-3-10-13/h3-4H,8H2,1-2H3 |
| InChI Key | QRRPEWSRUJGFOF-UHFFFAOYSA-N |
| MDL Number | MFCD12136910 |
| Molecular Formula | C7H10N6 |
| Molecular Weight | 178.1945 |
| SMILES | CC1C(N)=C(N2N=CN=C2)N(C)N=1 |
| Synonyms | 1,3-dimethyl-5-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-4-amine,
1157096-49-5,
AC1Q4088,
ZINC36749437,
AKOS009573304,
MCULE-1521043308,
NE55410,
EN300-65073,
Z1262327440,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.199g/mol |
| Monoisotopic Mass | 178.097g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number