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V2Z : Summary
Code
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V2Z
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One-letter code
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X
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Molecule name
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3-PROPYL-5-(3-PYRIDYL)-1H-PYRAZIN-2-ONE
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Systematic names
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Formula
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C12 H13 N3 O
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Formal charge
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0
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Molecular weight
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215.251 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CCCC1=NC(=CNC1=O)c2cccnc2 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CCCC1=NC(=CNC1=O)c2cccnc2 |
Canonical SMILES
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CACTVS |
3.385 |
CCCC1=NC(=CNC1=O)c2cccnc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CCCC1=NC(=CNC1=O)c2cccnc2 |
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IUPAC InChI | InChI=1S/C12H13N3O/c1-2-4-10-12(16)14-8-11(15-10)9-5-3-6-13-7-9/h3,5-8H,2,4H2,1H3,(H,14,16) |
IUPAC InChI key | ZKLHKFWUNCAKLE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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29 (16 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2015-03-02
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Last modified at
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2015-05-08
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Status
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Released
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Obsoleted
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Not Assigned
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