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- ChemComp-I1L: [2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium -

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Basic information

EntryDatabase: PDB chemical components / ID: I1L
NameName: [2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium

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Chemical information

Composition
Formula: C3H7N6O / Number of atoms: 17 / Formula weight: 143.127 / Formal charge: 1
Others

6ets

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: I1L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6ETS
History
Create componentOct 27, 2017
Initial releaseFeb 20, 2019
External linksUniChem / ChemSpider / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385[NH3+]NC(=O)Cc1n[nH]nn1
OpenEye OEToolkits 2.0.6C(c1n[nH]nn1)C(=O)N[NH3+]

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SMILES CANONICAL

CACTVS 3.385[NH3+]NC(=O)Cc1n[nH]nn1
OpenEye OEToolkits 2.0.6C(c1n[nH]nn1)C(=O)N[NH3+]

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InChI

InChI 1.03InChI=1S/C3H6N6O/c4-5-3(10)1-2-6-8-9-7-2/h1,4H2,(H,5,10)(H,6,7,8,9)/p+1

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InChIKey

InChI 1.03TWKUAKLZOIABHJ-UHFFFAOYSA-O

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6[2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium

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PDB entries

Showing all 2 items

PDB-6ets:
Crystal structure of KDM4D with tetrazolhydrazide compound 1

PDB-6h0w:
Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS035

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