| CAS Number | 1178229-40-7 |
| Catalog Number | AG01A8E7(AGN-PC-0WO0C0) |
| Chemical Name | 1-[(pyridin-3-yl)methyl]-1H-1,2,4-triazol-3-amine |
| IUPAC Name | 1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C8H9N5/c9-8-11-6-13(12-8)5-7-2-1-3-10-4-7/h1-4,6H,5H2,(H2,9,12) |
| InChI Key | GIWWWJBTNPQANF-UHFFFAOYSA-N |
| MDL Number | MFCD12804852 |
| Molecular Formula | C8H9N5 |
| Molecular Weight | 175.1906 |
| SMILES | NC1=NN(CC2=CN=CC=C2)C=N1 |
| Synonyms | 1-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-amine,
1178229-40-7,
AC1Q532I,
CTK7E1242,
ZINC37730095,
AKOS010133464,
MCULE-6149112934,
NE60856,
EN300-61416,
1-[(pyridin-3-yl)methyl]-1H-1,2,4-triazol-3-amine,
Z1262250860,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.195g/mol |
| Monoisotopic Mass | 175.086g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number