1H-tetrazole
A tetrazole is a synthetic organic heterocyclic compound, consisting of a 5-member ring of four nitrogen atoms and one carbon atom. The name tetrazole also refers to the parent compound - a whitish crystalline powder with the formula CH2N4, of which three isomers exist.
Chemical data
- Formula
- CH2N4
- Molecular weight
- 70.05 g/mol
- IUPAC name
- 2H-tetrazole
- SMILES
- C1=NNN=N1
- InChIKey
- KJUGUADJHNHALS-UHFFFAOYSA-N
- XLogP
- -0.5
- Polar surface area
- 54.5 Ų
- H-bond donors
- 1
- H-bond acceptors
- 3
- Formal charge
- 0
via PubChem
Article
5 sectionsContents
- Structure and bonding
- Synthesis
- Uses
- Related heterocycles
- References
A tetrazole is a synthetic organic heterocyclic compound, consisting of a 5-member ring of four nitrogen atoms and one carbon atom. The name tetrazole also refers to the parent compound - a whitish crystalline powder with the formula CH2N4, of which three isomers exist.
== Structure and bonding == Three isomers of the parent tetrazole exist, differing in the position of the double bonds: 1H-, 2H-, and 5H-tetrazole. The 1H- and 2H- isomers are tautomers, with the equilibrium lying on the side of 1H-tetrazole in the solid phase. In the gas phase, 2H-tetrazole dominates. These isomers can be regarded as aromatic, with 6 π-electrons, while the 5H-isomer is nonaromatic.