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- ChemComp-3AX: 1H-pyrazol-5-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: 3AX
NameName: 1H-pyrazol-5-amine / Synonyms: 3-Aminopyrazole

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Chemical information

Composition
Formula: C3H5N3 / Number of atoms: 11 / Formula weight: 83.092 / Formal charge: 0
Others

4n7a
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3AX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4N7A
History
Create componentOct 23, 2013
Initial releaseNov 6, 2013
Modify synonymsJun 5, 2020
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 12.01n1ccc(N)n1
CACTVS 3.385Nc1[nH]ncc1
OpenEye OEToolkits 1.7.6c1cn[nH]c1N

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SMILES CANONICAL

CACTVS 3.385Nc1[nH]ncc1
OpenEye OEToolkits 1.7.6c1cn[nH]c1N

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InChI

InChI 1.03InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)

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InChIKey

InChI 1.03JVVRJMXHNUAPHW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011H-pyrazol-5-amine
OpenEye OEToolkits 1.7.61H-pyrazol-5-amine

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PDB entries

Showing all 2 items

PDB-7gq3:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z241119328

PDB-7h8b:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z241119328 (CHIKV_MacB-x1145)

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