About 1-hydroxypyrrolo[1,2-a]imidazol-5-amine
1-hydroxypyrrolo[1,2-a]imidazol-5-amine (PubChem CID 69461044) has the molecular formula C6H7N3O
and a molecular weight of 137.14 g/mol. Its IUPAC name is 1-hydroxypyrrolo[1,2-a]imidazol-5-amine.
Molecular Properties
| Compound Name | 1-hydroxypyrrolo[1,2-a]imidazol-5-amine |
|---|
| PubChem CID | 69461044 |
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| Molecular Formula | C6H7N3O |
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| Molecular Weight | 137.14 g/mol |
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| Exact Mass | 137.06 |
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| IUPAC Name | 1-hydroxypyrrolo[1,2-a]imidazol-5-amine |
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| SMILES | Nc1ccc2n(O)ccn12 |
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| InChI | InChI=1S/C6H7N3O/c7-5-1-2-6-8(5)3-4-9(6)10/h1-4,10H,7H2 |
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| InChIKey | LVYSTCIXEYZWLB-UHFFFAOYSA-N |
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| XLogP | 0.56 |
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| TPSA | 55.59 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 137.14 |
| LogP ≤ 5 | 0.56 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-hydroxypyrrolo[1,2-a]imidazol-5-amine?
The IUPAC name of 1-hydroxypyrrolo[1,2-a]imidazol-5-amine (CID 69461044) is 1-hydroxypyrrolo[1,2-a]imidazol-5-amine.
What is the SMILES notation for 1-hydroxypyrrolo[1,2-a]imidazol-5-amine?
The canonical SMILES for 1-hydroxypyrrolo[1,2-a]imidazol-5-amine is Nc1ccc2n(O)ccn12.
What is the InChIKey of 1-hydroxypyrrolo[1,2-a]imidazol-5-amine?
The InChIKey is LVYSTCIXEYZWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c7-5-1-2-6-8(5)3-4-9(6)10/h1-4,10H,7H2.
What are the key properties of 1-hydroxypyrrolo[1,2-a]imidazol-5-amine?
1-hydroxypyrrolo[1,2-a]imidazol-5-amine has a molecular weight of 137.14 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolo[1,2-a]imidazol-5-amine is sourced from PubChem (CID 69461044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).