1-hydroxy-3,4,5-trinitropyrazole

C3HN5O7 — CID 102451227

IUPAC1-hydroxy-3,4,5-trinitropyrazole
SMILESO=[N+]([O-])c1nn(O)c([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C3HN5O7/c9-5-3(8(14)15)1(6(10)11)2(4-5)7(12)13/h9H
InChIKeyYFMHLMCDIIINOT-UHFFFAOYSA-N
MW219.07 g/mol
LogP-0.16
Rot. Bonds3

About 1-hydroxy-3,4,5-trinitropyrazole

1-hydroxy-3,4,5-trinitropyrazole (PubChem CID 102451227) has the molecular formula C3HN5O7 and a molecular weight of 219.07 g/mol. Its IUPAC name is 1-hydroxy-3,4,5-trinitropyrazole.

Molecular Properties

Compound Name1-hydroxy-3,4,5-trinitropyrazole
PubChem CID102451227
Molecular FormulaC3HN5O7
Molecular Weight219.07 g/mol
Exact Mass218.99
IUPAC Name1-hydroxy-3,4,5-trinitropyrazole
SMILESO=[N+]([O-])c1nn(O)c([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C3HN5O7/c9-5-3(8(14)15)1(6(10)11)2(4-5)7(12)13/h9H
InChIKeyYFMHLMCDIIINOT-UHFFFAOYSA-N
XLogP-0.16
TPSA167.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'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 1-hydroxy-3,4,5-trinitropyrazole?
The IUPAC name of 1-hydroxy-3,4,5-trinitropyrazole (CID 102451227) is 1-hydroxy-3,4,5-trinitropyrazole.
What is the SMILES notation for 1-hydroxy-3,4,5-trinitropyrazole?
The canonical SMILES for 1-hydroxy-3,4,5-trinitropyrazole is O=[N+]([O-])c1nn(O)c([N+](=O)[O-])c1[N+](=O)[O-].
What is the InChIKey of 1-hydroxy-3,4,5-trinitropyrazole?
The InChIKey is YFMHLMCDIIINOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HN5O7/c9-5-3(8(14)15)1(6(10)11)2(4-5)7(12)13/h9H.
What are the key properties of 1-hydroxy-3,4,5-trinitropyrazole?
1-hydroxy-3,4,5-trinitropyrazole has a molecular weight of 219.07 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,4,5-trinitropyrazole is sourced from PubChem (CID 102451227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).