| CAS Number | 1306739-68-3 |
| Catalog Number | AG00HS7F(AGN-PC-0WB60S) |
| Chemical Name | 7-Chloro[1,2,4]triazolo[4,3-c]pyrimidin-5-amine |
| IUPAC Name | 7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine |
| InChI | InChI=1S/C5H4ClN5/c6-3-1-4-10-8-2-11(4)5(7)9-3/h1-2H,(H2,7,9) |
| InChI Key | UQNMBTMDTZKFKO-UHFFFAOYSA-N |
| MDL Number | MFCD18917070 |
| Molecular Formula | C5H4ClN5 |
| Molecular Weight | 169.5718 |
| SMILES | N12C=NN=C1C=C(N=C2N)Cl |
| Synonyms | 1306739-68-3,
7-chloro[1,2,4]triazolo[4,3-c]pyrimidin-5-amine,
7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine,
ALBB-016777,
MFCD18917070,
ZINC66324424,
AKOS015959856,
MCULE-1126974376,
Y-8039,
1,2,4-triazolo[4,3-c]pyrimidin-5-amine, 7-chloro-,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.572g/mol |
| Monoisotopic Mass | 169.016g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number