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- ChemComp-WPZ: 6-methyl-3-phenyl-1,2,4-triazin-5-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: WPZ
NameName: 6-methyl-3-phenyl-1,2,4-triazin-5-ol

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Chemical information

Composition
Formula: C10H9N3O / Number of atoms: 23 / Formula weight: 187.198 / Formal charge: 0
Others

7g1t

Type: non-polymer / PDB classification: HETAIN / Three letter code: WPZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7G1T
History
Create componentMay 15, 2023
Initial releaseJun 14, 2023
External linksUniChem / ChemSpider / ChEMBL / Nikkaji / 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 12.01Oc1nc(nnc1C)c1ccccc1
CACTVS 3.385Cc1nnc(nc1O)c2ccccc2
OpenEye OEToolkits 2.0.7Cc1c(nc(nn1)c2ccccc2)O

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SMILES CANONICAL

CACTVS 3.385Cc1nnc(nc1O)c2ccccc2
OpenEye OEToolkits 2.0.7Cc1c(nc(nn1)c2ccccc2)O

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InChI

InChI 1.06InChI=1S/C10H9N3O/c1-7-10(14)11-9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)

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InChIKey

InChI 1.06GQOHHBLOVGBIIF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-methyl-3-phenyl-1,2,4-triazin-5-ol
OpenEye OEToolkits 2.0.76-methyl-3-phenyl-1,2,4-triazin-5-ol

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PDB entries

Showing all 1 items

PDB-7g1t:
Crystal Structure of human FABP4 in complex with 6-methyl-3-phenyl-1,2,4-triazin-5-ol

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