About N-tritiomethanimine
N-tritiomethanimine (PubChem CID 160963221) has the molecular formula C4H12N4
and a molecular weight of 124.20 g/mol. Its IUPAC name is N-tritiomethanimine.
Molecular Properties
| Compound Name | N-tritiomethanimine |
|---|
| PubChem CID | 160963221 |
|---|
| Molecular Formula | C4H12N4 |
|---|
| Molecular Weight | 124.20 g/mol |
|---|
| Exact Mass | 124.14 |
|---|
| IUPAC Name | N-tritiomethanimine |
|---|
| SMILES | [3H]N=C.[3H]N=C.[3H]N=C.[3H]N=C |
|---|
| InChI | InChI=1S/4CH3N/c4*1-2/h4*2H,1H2/i/hT4 |
|---|
| InChIKey | SXGUMXCXUOYPDW-YBCMAOLYSA-N |
|---|
| XLogP | 1.06 |
|---|
| TPSA | 95.40 Ų |
|---|
| H-Bond Donors | 4 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 8 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 124.20 |
| LogP ≤ 5 | 1.06 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of N-tritiomethanimine?
The IUPAC name of N-tritiomethanimine (CID 160963221) is N-tritiomethanimine.
What is the SMILES notation for N-tritiomethanimine?
The canonical SMILES for N-tritiomethanimine is [3H]N=C.[3H]N=C.[3H]N=C.[3H]N=C.
What is the InChIKey of N-tritiomethanimine?
The InChIKey is SXGUMXCXUOYPDW-YBCMAOLYSA-N. The full InChI is InChI=1S/4CH3N/c4*1-2/h4*2H,1H2/i/hT4.
What are the key properties of N-tritiomethanimine?
N-tritiomethanimine has a molecular weight of 124.20 g/mol, XLogP of 1.06, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tritiomethanimine is sourced from PubChem (CID 160963221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).