About selenocarbazone
selenocarbazone (PubChem CID 88829334) has the molecular formula CH3N4Se
and a molecular weight of 150.02 g/mol.
Molecular Properties
| Compound Name | selenocarbazone |
|---|
| PubChem CID | 88829334 |
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| Molecular Formula | CH3N4Se |
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| Molecular Weight | 150.02 g/mol |
|---|
| Exact Mass | 150.95 |
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| IUPAC Name | — |
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| SMILES | [H]/N=N/C([Se])=N/N |
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| InChI | InChI=1S/CH3N4Se/c2-4-1(6)5-3/h2H,3H2/b4-2+,5-1- |
|---|
| InChIKey | LEQRYUSQLNOCQH-DVKCTQQWSA-N |
|---|
| XLogP | -0.58 |
|---|
| TPSA | 74.59 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 150.02 |
| LogP ≤ 5 | -0.58 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of selenocarbazone?
The IUPAC name of selenocarbazone (CID 88829334) is not available.
What is the SMILES notation for selenocarbazone?
The canonical SMILES for selenocarbazone is [H]/N=N/C([Se])=N/N.
What is the InChIKey of selenocarbazone?
The InChIKey is LEQRYUSQLNOCQH-DVKCTQQWSA-N. The full InChI is InChI=1S/CH3N4Se/c2-4-1(6)5-3/h2H,3H2/b4-2+,5-1-.
What are the key properties of selenocarbazone?
selenocarbazone has a molecular weight of 150.02 g/mol, XLogP of -0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for selenocarbazone is sourced from PubChem (CID 88829334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).