3-azido-4-diazo-5-nitropyrazole

C3N8O2 — CID 15327484

IUPAC3-azido-4-diazo-5-nitropyrazole
SMILES[N-]=[N+]=NC1=NN=C([N+](=O)[O-])C1=[N+]=[N-]
InChIInChI=1S/C3N8O2/c4-6-1-2(8-10-5)7-9-3(1)11(12)13
InChIKeyRWLDVTJXPPGQPX-UHFFFAOYSA-N
MW180.09 g/mol
LogP-0.03
Rot. Bonds

About 3-azido-4-diazo-5-nitropyrazole

3-azido-4-diazo-5-nitropyrazole (PubChem CID 15327484) has the molecular formula C3N8O2 and a molecular weight of 180.09 g/mol. Its IUPAC name is 3-azido-4-diazo-5-nitropyrazole.

Molecular Properties

Compound Name3-azido-4-diazo-5-nitropyrazole
PubChem CID15327484
Molecular FormulaC3N8O2
Molecular Weight180.09 g/mol
Exact Mass180.01
IUPAC Name3-azido-4-diazo-5-nitropyrazole
SMILES[N-]=[N+]=NC1=NN=C([N+](=O)[O-])C1=[N+]=[N-]
InChIInChI=1S/C3N8O2/c4-6-1-2(8-10-5)7-9-3(1)11(12)13
InChIKeyRWLDVTJXPPGQPX-UHFFFAOYSA-N
XLogP-0.03
TPSA153.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.09
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-4-diazo-5-nitropyrazole?
The IUPAC name of 3-azido-4-diazo-5-nitropyrazole (CID 15327484) is 3-azido-4-diazo-5-nitropyrazole.
What is the SMILES notation for 3-azido-4-diazo-5-nitropyrazole?
The canonical SMILES for 3-azido-4-diazo-5-nitropyrazole is [N-]=[N+]=NC1=NN=C([N+](=O)[O-])C1=[N+]=[N-].
What is the InChIKey of 3-azido-4-diazo-5-nitropyrazole?
The InChIKey is RWLDVTJXPPGQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3N8O2/c4-6-1-2(8-10-5)7-9-3(1)11(12)13.
What are the key properties of 3-azido-4-diazo-5-nitropyrazole?
3-azido-4-diazo-5-nitropyrazole has a molecular weight of 180.09 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-4-diazo-5-nitropyrazole is sourced from PubChem (CID 15327484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).