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- ChemComp-W3M: 1H-imidazole-5-carbonitrile -

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Basic information

EntryDatabase: PDB chemical components / ID: W3M
NameName: 1H-imidazole-5-carbonitrile

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Chemical information

Composition
Formula: C4H3N3 / Number of atoms: 10 / Formula weight: 93.087 / Formal charge: 0
Others

5rs0
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: W3M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RS0
History
Create componentSep 24, 2020
Initial releaseJan 13, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01n1cncc1C#N
CACTVS 3.385N#Cc1[nH]cnc1
OpenEye OEToolkits 2.0.7c1c([nH]cn1)C#N

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SMILES CANONICAL

CACTVS 3.385N#Cc1[nH]cnc1
OpenEye OEToolkits 2.0.7c1c([nH]cn1)C#N

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InChI

InChI 1.03InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7)

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InChIKey

InChI 1.03NWVGXXPWOYZODV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011H-imidazole-5-carbonitrile
OpenEye OEToolkits 2.0.71~{H}-imidazole-5-carbonitrile

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PDB entries

Showing all 3 items

PDB-5s4e:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2301685688

PDB-7gq5:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z2301685688

PDB-7gqp:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198152494

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