2-azido-3-(4-nitropyrazol-1-yl)pyrazine

C7H4N8O2 — CID 126484525

IUPAC2-azido-3-(4-nitropyrazol-1-yl)pyrazine
SMILES[N-]=[N+]=Nc1nccnc1-n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C7H4N8O2/c8-13-12-6-7(10-2-1-9-6)14-4-5(3-11-14)15(16)17/h1-4H
InChIKeyZAWUKDLLOGYHOF-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.51
Rot. Bonds3

About 2-azido-3-(4-nitropyrazol-1-yl)pyrazine

2-azido-3-(4-nitropyrazol-1-yl)pyrazine (PubChem CID 126484525) has the molecular formula C7H4N8O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is 2-azido-3-(4-nitropyrazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-azido-3-(4-nitropyrazol-1-yl)pyrazine
PubChem CID126484525
Molecular FormulaC7H4N8O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC Name2-azido-3-(4-nitropyrazol-1-yl)pyrazine
SMILES[N-]=[N+]=Nc1nccnc1-n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C7H4N8O2/c8-13-12-6-7(10-2-1-9-6)14-4-5(3-11-14)15(16)17/h1-4H
InChIKeyZAWUKDLLOGYHOF-UHFFFAOYSA-N
XLogP1.51
TPSA135.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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': '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 2-azido-3-(4-nitropyrazol-1-yl)pyrazine?
The IUPAC name of 2-azido-3-(4-nitropyrazol-1-yl)pyrazine (CID 126484525) is 2-azido-3-(4-nitropyrazol-1-yl)pyrazine.
What is the SMILES notation for 2-azido-3-(4-nitropyrazol-1-yl)pyrazine?
The canonical SMILES for 2-azido-3-(4-nitropyrazol-1-yl)pyrazine is [N-]=[N+]=Nc1nccnc1-n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-azido-3-(4-nitropyrazol-1-yl)pyrazine?
The InChIKey is ZAWUKDLLOGYHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N8O2/c8-13-12-6-7(10-2-1-9-6)14-4-5(3-11-14)15(16)17/h1-4H.
What are the key properties of 2-azido-3-(4-nitropyrazol-1-yl)pyrazine?
2-azido-3-(4-nitropyrazol-1-yl)pyrazine has a molecular weight of 232.16 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-(4-nitropyrazol-1-yl)pyrazine is sourced from PubChem (CID 126484525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).