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- ChemComp-XGV: pyridazin-3-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: XGV
NameName: pyridazin-3-amine

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Chemical information

Composition
Formula: C4H5N3 / Number of atoms: 12 / Formula weight: 95.103 / Formal charge: 0
Others

5s78

Type: non-polymer / PDB classification: HETAIN / Three letter code: XGV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5S78
History
Create componentDec 16, 2020
Initial releaseJun 23, 2021
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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 12.01Nc1nnccc1
CACTVS 3.385Nc1cccnn1
OpenEye OEToolkits 2.0.7c1cc(nnc1)N

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SMILES CANONICAL

CACTVS 3.385Nc1cccnn1
OpenEye OEToolkits 2.0.7c1cc(nnc1)N

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InChI

InChI 1.03InChI=1S/C4H5N3/c5-4-2-1-3-6-7-4/h1-3H,(H2,5,7)

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InChIKey

InChI 1.03LETVJWLLIMJADE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01pyridazin-3-amine
OpenEye OEToolkits 2.0.7pyridazin-3-amine

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PDB entries

Showing all 1 items

PDB-5s78:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010934a

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