| CAS Number | 329901-30-6 |
| Catalog Number | AG00IP53(AGN-PC-0WASIN) |
| Chemical Name | 4-{4-[3-(dimethylamino)propyl]-5-methyl-4H-1,2,4-triazol-3-yl}-1-phenyl-1H-pyrazol-5-amine |
| IUPAC Name | 4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenylpyrazol-3-amine |
| InChI | InChI=1S/C17H23N7/c1-13-20-21-17(23(13)11-7-10-22(2)3)15-12-19-24(16(15)18)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11,18H2,1-3H3 |
| InChI Key | HGFXXNYOGQJGAJ-UHFFFAOYSA-N |
| MDL Number | MFCD03305548 |
| Molecular Formula | C17H23N7 |
| Molecular Weight | 325.4114 |
| SMILES | N=1(N=C(C)N(C=1C3(=C(N(C2(=CC=CC=C2))N=C3)N))CCCN(C)C) |
| Synonyms | 4-{4-[3-(dimethylamino)propyl]-5-methyl-4H-1,2,4-triazol-3-yl}-1-phenyl-1H-pyrazol-5-amine,
329901-30-6,
AC1LSWRA,
KS-00001UXV,
ZINC1384122,
AKOS005086699,
MCULE-7772144255,
2T-0222,
4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-2-phenylpyrazol-3-amine,
4-(4-[3-(dimethylamino)propyl]-5-methyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazol-5-amine, AldrichCPR,
CID1472688,
4-[4-(3-dimethylaminopropyl)-5-methyl-1,2,4-triazol-3-yl]-2-phenyl-pyrazol-3-amine,
|
| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.201g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.42g/mol |
| Monoisotopic Mass | 325.201g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number