About N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-(2-hydroxyethyl)methanimidamide
N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-(2-hydroxyethyl)methanimidamide (PubChem CID 5468434) has the molecular formula C7H9N5O
and a molecular weight of 179.18 g/mol. Its IUPAC name is N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-(2-hydroxyethyl)methanimidamide.
Molecular Properties
| Compound Name | N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-(2-hydroxyethyl)methanimidamide |
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| PubChem CID | 5468434 |
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| Molecular Formula | C7H9N5O |
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| Molecular Weight | 179.18 g/mol |
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| Exact Mass | 179.08 |
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| IUPAC Name | N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-(2-hydroxyethyl)methanimidamide |
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| SMILES | N#C/C(N)=C(\C#N)N/C=N/CCO |
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| InChI | InChI=1S/C7H9N5O/c8-3-6(10)7(4-9)12-5-11-1-2-13/h5,13H,1-2,10H2,(H,11,12)/b7-6- |
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| InChIKey | BSQITYQYNFVRMN-SREVYHEPSA-N |
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| XLogP | -1.19 |
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| TPSA | 118.22 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 13 |
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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 | 179.18 |
| LogP ≤ 5 | -1.19 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'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-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-(2-hydroxyethyl)methanimidamide?
The IUPAC name of N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-(2-hydroxyethyl)methanimidamide (CID 5468434) is N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-(2-hydroxyethyl)methanimidamide.
What is the SMILES notation for N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-(2-hydroxyethyl)methanimidamide?
The canonical SMILES for N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-(2-hydroxyethyl)methanimidamide is N#C/C(N)=C(\C#N)N/C=N/CCO.
What is the InChIKey of N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-(2-hydroxyethyl)methanimidamide?
The InChIKey is BSQITYQYNFVRMN-SREVYHEPSA-N. The full InChI is InChI=1S/C7H9N5O/c8-3-6(10)7(4-9)12-5-11-1-2-13/h5,13H,1-2,10H2,(H,11,12)/b7-6-.
What are the key properties of N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-(2-hydroxyethyl)methanimidamide?
N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-(2-hydroxyethyl)methanimidamide has a molecular weight of 179.18 g/mol, XLogP of -1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-(2-hydroxyethyl)methanimidamide is sourced from PubChem (CID 5468434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).