| Canonical Smiles | C1=CN(C=N1)CC(=O)NN |
|---|---|
| IUPAC Name | 2-imidazol-1-ylacetohydrazide |
| InChIKey | CNCNYKXWAPNJEP-UHFFFAOYSA-N |
| INCHI | 1S/C5H8N4O/c6-8-5(10)3-9-2-1-7-4-9/h1-2,4H,3,6H2,(H,8,10) |
| Isomeric SMILES | C1=CN(C=N1)CC(=O)NN |
| PubChem CID | 960605 |
| Molecular Weight | 140.15 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | N-substituted imidazoles |
| Alternative Parents | Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-substituted imidazole - Heteroaromatic compound - Carboxylic acid hydrazide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1. |
| External Descriptors | Not available |
| Molecular Weight | 140.140 g/mol |
|---|---|
| XLogP3 | -1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 140.07 Da |
| Monoisotopic Mass | 140.07 Da |
| Topological Polar Surface Area | 72.900 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 127.000 |
| 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 |
