About pyrazolo[1,5-a]pyrazine-1,5-diamine
pyrazolo[1,5-a]pyrazine-1,5-diamine (PubChem CID 69462241) has the molecular formula C6H9N5
and a molecular weight of 151.17 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrazine-1,5-diamine.
Molecular Properties
| Compound Name | pyrazolo[1,5-a]pyrazine-1,5-diamine |
|---|
| PubChem CID | 69462241 |
|---|
| Molecular Formula | C6H9N5 |
|---|
| Molecular Weight | 151.17 g/mol |
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| Exact Mass | 151.09 |
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| IUPAC Name | pyrazolo[1,5-a]pyrazine-1,5-diamine |
|---|
| SMILES | NN1C=CN2C(=C1)C=CN2N |
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| InChI | InChI=1S/C6H9N5/c7-9-3-4-10-6(5-9)1-2-11(10)8/h1-5H,7-8H2 |
|---|
| InChIKey | AQXOUOKXKMUEQG-UHFFFAOYSA-N |
|---|
| XLogP | -0.59 |
|---|
| TPSA | 61.76 Ų |
|---|
| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 151.17 |
| LogP ≤ 5 | -0.59 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of pyrazolo[1,5-a]pyrazine-1,5-diamine?
The IUPAC name of pyrazolo[1,5-a]pyrazine-1,5-diamine (CID 69462241) is pyrazolo[1,5-a]pyrazine-1,5-diamine.
What is the SMILES notation for pyrazolo[1,5-a]pyrazine-1,5-diamine?
The canonical SMILES for pyrazolo[1,5-a]pyrazine-1,5-diamine is NN1C=CN2C(=C1)C=CN2N.
What is the InChIKey of pyrazolo[1,5-a]pyrazine-1,5-diamine?
The InChIKey is AQXOUOKXKMUEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c7-9-3-4-10-6(5-9)1-2-11(10)8/h1-5H,7-8H2.
What are the key properties of pyrazolo[1,5-a]pyrazine-1,5-diamine?
pyrazolo[1,5-a]pyrazine-1,5-diamine has a molecular weight of 151.17 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrazine-1,5-diamine is sourced from PubChem (CID 69462241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).