| Canonical Smiles | C1=CN=C(C=N1)C2=NC=NN2 |
|---|---|
| IUPAC Name | 2-(1H-1,2,4-triazol-5-yl)pyrazine |
| InChIKey | UVERQPQFEHVFEB-UHFFFAOYSA-N |
| INCHI | 1S/C6H5N5/c1-2-8-5(3-7-1)6-9-4-10-11-6/h1-4H,(H,9,10,11) |
| Isomeric SMILES | C1=CN=C(C=N1)C2=NC=NN2 |
| PubChem CID | 12145987 |
| Molecular Weight | 147.14 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazines |
| Alternative Parents | Triazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrazine - Heteroaromatic compound - 1,2,4-triazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 147.140 g/mol |
|---|---|
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 147.054 Da |
| Monoisotopic Mass | 147.054 Da |
| Topological Polar Surface Area | 67.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 128.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
