| CAS Number | 895571-94-5 |
| Catalog Number | AG01C19T(AGN-PC-069H7P) |
| Chemical Name | ethyl 2-(3-amino-1H-1,2,4-triazol-1-yl)acetate |
| IUPAC Name | ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate |
| InChI | InChI=1S/C6H10N4O2/c1-2-12-5(11)3-10-4-8-6(7)9-10/h4H,2-3H2,1H3,(H2,7,9) |
| InChI Key | ZBTDJZDIEQXLQN-UHFFFAOYSA-N |
| MDL Number | MFCD12766721 |
| Molecular Formula | C6H10N4O2 |
| Molecular Weight | 170.1692 |
| SMILES | CCOC(CN1N=C(N)N=C1)=O |
| Synonyms | 895571-94-5,
ethyl 2-(3-amino-1H-1,2,4-triazol-1-yl)acetate,
SCHEMBL3538506,
1H-1,2,4-Triazole-1-acetic acid, 3-amino-, ethyl ester,
ZBTDJZDIEQXLQN-UHFFFAOYSA-N,
ZINC37730088,
AKOS010135099,
(3-amino-[1,2,4]triazol-1-yl)-acetic acid ethyl ester,
Z600615182,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.172g/mol |
| Monoisotopic Mass | 170.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number