About deuterioformohydrazide
deuterioformohydrazide (PubChem CID 59895438) has the molecular formula CH4N2O
and a molecular weight of 61.06 g/mol. Its IUPAC name is deuterioformohydrazide.
Molecular Properties
| Compound Name | deuterioformohydrazide |
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| PubChem CID | 59895438 |
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| Molecular Formula | CH4N2O |
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| Molecular Weight | 61.06 g/mol |
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| Exact Mass | 61.04 |
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| IUPAC Name | deuterioformohydrazide |
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| SMILES | [2H]C(=O)NN |
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| InChI | InChI=1S/CH4N2O/c2-3-1-4/h1H,2H2,(H,3,4)/i1D |
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| InChIKey | XZBIXDPGRMLSTC-MICDWDOJSA-N |
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| XLogP | -1.39 |
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| TPSA | 55.12 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 4 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 61.06 |
| LogP ≤ 5 | -1.39 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of deuterioformohydrazide?
The IUPAC name of deuterioformohydrazide (CID 59895438) is deuterioformohydrazide.
What is the SMILES notation for deuterioformohydrazide?
The canonical SMILES for deuterioformohydrazide is [2H]C(=O)NN.
What is the InChIKey of deuterioformohydrazide?
The InChIKey is XZBIXDPGRMLSTC-MICDWDOJSA-N. The full InChI is InChI=1S/CH4N2O/c2-3-1-4/h1H,2H2,(H,3,4)/i1D.
What are the key properties of deuterioformohydrazide?
deuterioformohydrazide has a molecular weight of 61.06 g/mol, XLogP of -1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterioformohydrazide is sourced from PubChem (CID 59895438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).