A1IO3
N-phenethyl-2-(1H-tetrazol-5-yl)acetamide
Created: | 2024-09-20 |
Last modified: | 2025-07-02 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 31 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | N-phenethyl-2-(1H-tetrazol-5-yl)acetamide |
Synonyms | ~{N}-(2-phenylethyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-(2-phenylethyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
Formula | C11 H13 N5 O |
Molecular Weight | 231.254 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O=C(Cc1[nH]nnn1)NCCc2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCNC(=O)Cc2[nH]nnn2 |
Canonical SMILES | CACTVS | 3.385 | O=C(Cc1[nH]nnn1)NCCc2ccccc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCNC(=O)Cc2[nH]nnn2 |
InChI | InChI | 1.06 | InChI=1S/C11H13N5O/c17-11(8-10-13-15-16-14-10)12-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,17)(H,13,14,15,16) |
InChIKey | InChI | 1.06 | IGPVTXOEQKVWEI-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 16434657 |