HUH
1~{H}-1,2,3-triazole
Created: | 2018-12-19 |
Last modified: | 2019-03-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 8 |
Chiral Atom Count | 0 |
Bond Count | 8 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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Name | 1~{H}-1,2,3-triazole |
Systematic Name (OpenEye OEToolkits) | 1~{H}-1,2,3-triazole |
Formula | C2 H3 N3 |
Molecular Weight | 69.065 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | [nH]1ccnn1 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cnn[nH]1 |
Canonical SMILES | CACTVS | 3.385 | [nH]1ccnn1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1cnn[nH]1 |
InChI | InChI | 1.03 | InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5) |
InChIKey | InChI | 1.03 | QWENRTYMTSOGBR-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 67516 |
ChEMBL | CHEMBL2148102 |
ChEBI | CHEBI:35566, CHEBI:35565 |
CCDC/CSD | UNAWUD, BUXSUL, GERYEH |