| CAS Number | 87138-51-0 |
| Catalog Number | AG019MI8(AGN-PC-0WO9ER) |
| Chemical Name | 5-amino-1-(2-aminophenyl)-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile |
| InChI | InChI=1S/C10H9N5/c11-5-7-6-14-15(10(7)13)9-4-2-1-3-8(9)12/h1-4,6H,12-13H2 |
| InChI Key | MEIWOGPEWDAUKA-UHFFFAOYSA-N |
| MDL Number | MFCD10686882 |
| Molecular Formula | C10H9N5 |
| Molecular Weight | 199.2120 |
| SMILES | NC1N(C2=C(N)C=CC=C2)N=CC=1C#N |
| Synonyms | 5-amino-1-(2-aminophenyl)-1H-pyrazole-4-carbonitrile,
EN300-36290,
87138-51-0,
AC1Q50WW,
CTK7C9106,
ZINC20283503,
AKOS008119183,
MCULE-5735660211,
NE28218,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.217g/mol |
| Monoisotopic Mass | 199.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 93.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number