About N'-(4-cyanopyridazin-3-yl)-N,N-dimethylethanimidamide
N'-(4-cyanopyridazin-3-yl)-N,N-dimethylethanimidamide (PubChem CID 15154706) has the molecular formula C9H11N5
and a molecular weight of 189.22 g/mol. Its IUPAC name is N'-(4-cyanopyridazin-3-yl)-N,N-dimethylethanimidamide.
Molecular Properties
| Compound Name | N'-(4-cyanopyridazin-3-yl)-N,N-dimethylethanimidamide |
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| PubChem CID | 15154706 |
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| Molecular Formula | C9H11N5 |
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| Molecular Weight | 189.22 g/mol |
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| Exact Mass | 189.10 |
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| IUPAC Name | N'-(4-cyanopyridazin-3-yl)-N,N-dimethylethanimidamide |
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| SMILES | C/C(=N\c1nnccc1C#N)N(C)C |
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| InChI | InChI=1S/C9H11N5/c1-7(14(2)3)12-9-8(6-10)4-5-11-13-9/h4-5H,1-3H3/b12-7+ |
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| InChIKey | RLQNSNBLAXWMCH-KPKJPENVSA-N |
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| XLogP | 0.96 |
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| TPSA | 65.17 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 14 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 189.22 |
| LogP ≤ 5 | 0.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-(4-cyanopyridazin-3-yl)-N,N-dimethylethanimidamide?
The IUPAC name of N'-(4-cyanopyridazin-3-yl)-N,N-dimethylethanimidamide (CID 15154706) is N'-(4-cyanopyridazin-3-yl)-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-(4-cyanopyridazin-3-yl)-N,N-dimethylethanimidamide?
The canonical SMILES for N'-(4-cyanopyridazin-3-yl)-N,N-dimethylethanimidamide is C/C(=N\c1nnccc1C#N)N(C)C.
What is the InChIKey of N'-(4-cyanopyridazin-3-yl)-N,N-dimethylethanimidamide?
The InChIKey is RLQNSNBLAXWMCH-KPKJPENVSA-N. The full InChI is InChI=1S/C9H11N5/c1-7(14(2)3)12-9-8(6-10)4-5-11-13-9/h4-5H,1-3H3/b12-7+.
What are the key properties of N'-(4-cyanopyridazin-3-yl)-N,N-dimethylethanimidamide?
N'-(4-cyanopyridazin-3-yl)-N,N-dimethylethanimidamide has a molecular weight of 189.22 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanopyridazin-3-yl)-N,N-dimethylethanimidamide is sourced from PubChem (CID 15154706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).