| CAS Number | 949980-60-3 |
| Catalog Number | AG019KWB(AGN-PC-0WO2VA) |
| Chemical Name | 3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}aniline |
| IUPAC Name | 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)aniline |
| InChI | InChI=1S/C11H12N4/c12-9-4-1-3-8(7-9)11-14-13-10-5-2-6-15(10)11/h1,3-4,7H,2,5-6,12H2 |
| InChI Key | GJIRFKWMLBFRHV-UHFFFAOYSA-N |
| MDL Number | MFCD09802067 |
| Molecular Formula | C11H12N4 |
| Molecular Weight | 200.2398 |
| SMILES | NC1=CC(C2N3C(CCC3)=NN=2)=CC=C1 |
| Synonyms | 3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}aniline,
949980-60-3,
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)aniline,
AC1Q51FQ,
CTK7D8869,
ZINC12505824,
AKOS009142513,
MCULE-7760152536,
NE62138,
EN300-28787,
Z235352209,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.245g/mol |
| Monoisotopic Mass | 200.106g/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