| CAS Number | 1193388-42-9 |
| Catalog Number | AG019VFD |
| Chemical Name | 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methylaniline |
| IUPAC Name | 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylaniline |
| InChI | InChI=1S/C12H14N4/c1-7-2-5-10(13)9(6-7)12-14-11(15-16-12)8-3-4-8/h2,5-6,8H,3-4,13H2,1H3,(H,14,15,16) |
| InChI Key | VARILXNTLVKIIN-UHFFFAOYSA-N |
| MDL Number | MFCD12197149 |
| Molecular Formula | C12H14N4 |
| Molecular Weight | 214.2664 |
| SMILES | CC1=CC(C2NN=C(C3CC3)N=2)=C(N)C=C1 |
| Synonyms | 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methylaniline,
1193388-42-9,
AC1Q2IJF,
CTK6B6898,
CTK8F3566,
ZINC36379449,
AKOS022773350,
MCULE-9989758968,
NE51973,
EN300-45090,
AB01006925-01,
Z594413652,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.272g/mol |
| Monoisotopic Mass | 214.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number