| CAS Number | 6973-21-3 |
| Catalog Number | AG006816(AGN-PC-0TWKU3) |
| Chemical Name | (1H-1,2,3,4-tetrazol-5-yl)urea |
| IUPAC Name | tetrazol-5-ylideneurea |
| InChI | InChI=1S/C2H2N6O/c3-1(9)4-2-5-7-8-6-2/h(H2,3,9) |
| InChI Key | IWHZFMYKLJYHMC-UHFFFAOYSA-N |
| MDL Number | MFCD00466376 |
| Molecular Formula | C2H4N6O |
| Molecular Weight | 128.0928 |
| SMILES | NC(NC1NN=NN=1)=O |
| Synonyms | tetrazol-5-ylideneurea,
Urea,N-2H-tetrazol-5-yl-,
6973-21-3,
AC1L94RF,
CTK5D1135,
DTXSID20328672,
NSC44001,
CID413008,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.079g/mol |
| Monoisotopic Mass | 126.029g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number