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- ChemComp-UWD: N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: UWD
NameName: N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine

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Chemical information

Composition
Formula: C8H10N4 / Number of atoms: 22 / Formula weight: 162.192 / Formal charge: 0
Others

5rkc

Type: non-polymer / PDB classification: HETAIN / Three letter code: UWD / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RKC
History
Create componentJun 2, 2020
Initial releaseJun 17, 2020
External linksUniChem / ChemSpider / PubChem / SureChEMBL / ZINC / 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 12.01n2c(n1ccccc1n2)CNC
CACTVS 3.385CNCc1nnc2ccccn12
OpenEye OEToolkits 2.0.7CNCc1nnc2n1cccc2

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SMILES CANONICAL

CACTVS 3.385CNCc1nnc2ccccn12
OpenEye OEToolkits 2.0.7CNCc1nnc2n1cccc2

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InChI

InChI 1.03InChI=1S/C8H10N4/c1-9-6-8-11-10-7-4-2-3-5-12(7)8/h2-5,9H,6H2,1H3

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InChIKey

InChI 1.03UQXCTICEXNDHAR-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
OpenEye OEToolkits 2.0.7~{N}-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine

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PDB entries

Showing all 3 items

PDB-5rkc:
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z234898257

PDB-7h2o:
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z234898257

PDB-7hhm:
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z234898257

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