About azane;1,3-dihydroxypropan-2-yl nitrate
azane;1,3-dihydroxypropan-2-yl nitrate (PubChem CID 139485194) has the molecular formula C3H10N2O5
and a molecular weight of 154.12 g/mol. Its IUPAC name is azane;1,3-dihydroxypropan-2-yl nitrate.
Molecular Properties
| Compound Name | azane;1,3-dihydroxypropan-2-yl nitrate |
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| PubChem CID | 139485194 |
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| Molecular Formula | C3H10N2O5 |
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| Molecular Weight | 154.12 g/mol |
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| Exact Mass | 154.06 |
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| IUPAC Name | azane;1,3-dihydroxypropan-2-yl nitrate |
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| SMILES | N.O=[N+]([O-])OC(CO)CO |
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| InChI | InChI=1S/C3H7NO5.H3N/c5-1-3(2-6)9-4(7)8;/h3,5-6H,1-2H2;1H3 |
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| InChIKey | NPRLMZDDKOCRBA-UHFFFAOYSA-N |
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| XLogP | -1.29 |
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| TPSA | 127.83 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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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 |
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| MW ≤ 500 | 154.12 |
| LogP ≤ 5 | -1.29 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of azane;1,3-dihydroxypropan-2-yl nitrate?
The IUPAC name of azane;1,3-dihydroxypropan-2-yl nitrate (CID 139485194) is azane;1,3-dihydroxypropan-2-yl nitrate.
What is the SMILES notation for azane;1,3-dihydroxypropan-2-yl nitrate?
The canonical SMILES for azane;1,3-dihydroxypropan-2-yl nitrate is N.O=[N+]([O-])OC(CO)CO.
What is the InChIKey of azane;1,3-dihydroxypropan-2-yl nitrate?
The InChIKey is NPRLMZDDKOCRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO5.H3N/c5-1-3(2-6)9-4(7)8;/h3,5-6H,1-2H2;1H3.
What are the key properties of azane;1,3-dihydroxypropan-2-yl nitrate?
azane;1,3-dihydroxypropan-2-yl nitrate has a molecular weight of 154.12 g/mol, XLogP of -1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,3-dihydroxypropan-2-yl nitrate is sourced from PubChem (CID 139485194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).