| CAS Number | 1195625-75-2 |
| Catalog Number | AG000P81(AGN-PC-080G5S) |
| Chemical Name | [1,2,4]Triazolo[4,3-a]pyrimidin-3-amine |
| IUPAC Name | [1,2,4]triazolo[4,3-a]pyrimidin-3-amine |
| InChI | InChI=1S/C5H5N5/c6-4-8-9-5-7-2-1-3-10(4)5/h1-3H,(H2,6,8) |
| InChI Key | GSOHZHFIJOTFHI-UHFFFAOYSA-N |
| MDL Number | MFCD17677032 |
| Molecular Formula | C5H5N5 |
| Molecular Weight | 135.1267 |
| SMILES | Nc1n2c(nn1)nccc2 |
| Synonyms | [1,2,4]triazolo[4,3-a]pyrimidin-3-amine,
1195625-75-2,
SCHEMBL18879011,
CTK8D3720,
DTXSID80677537,
MFCD17677032,
AKOS006366006,
1,2,4-Triazolo[4,3-a]pyrimidin-3-amine,
TC-072288,
3-amino[1,2,4]triazolo[4,3-a]pyrimidine,
I14-13077,
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| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.13g/mol |
| Monoisotopic Mass | 135.054g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number