| CAS Number | 2091484-38-5 |
| Catalog Number | AG01BTNJ |
| Chemical Name | 5-amino-1-(ethoxymethyl)-1H-1,2,3-triazole-4-carbonitrile |
| IUPAC Name | 5-amino-1-(ethoxymethyl)triazole-4-carbonitrile |
| InChI | InChI=1S/C6H9N5O/c1-2-12-4-11-6(8)5(3-7)9-10-11/h2,4,8H2,1H3 |
| InChI Key | OXAYJTVJZCXEEE-UHFFFAOYSA-N |
| MDL Number | MFCD30730623 |
| Molecular Formula | C6H9N5O |
| Molecular Weight | 167.1686 |
| SMILES | CCOCN1C(N)=C(C#N)N=N1 |
| Synonyms | 5-amino-1-(ethoxymethyl)-1H-1,2,3-triazole-4-carbonitrile,
2091484-38-5,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.172g/mol |
| Monoisotopic Mass | 167.081g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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