2-azido-3-pyrazol-1-ylpyrazine

C7H5N7 — CID 126484510

IUPAC2-azido-3-pyrazol-1-ylpyrazine
SMILES[N-]=[N+]=Nc1nccnc1-n1cccn1
InChIInChI=1S/C7H5N7/c8-13-12-6-7(10-4-3-9-6)14-5-1-2-11-14/h1-5H
InChIKeyMBROHXQDBXTOLE-UHFFFAOYSA-N
MW187.17 g/mol
LogP1.60
Rot. Bonds2

About 2-azido-3-pyrazol-1-ylpyrazine

2-azido-3-pyrazol-1-ylpyrazine (PubChem CID 126484510) has the molecular formula C7H5N7 and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-azido-3-pyrazol-1-ylpyrazine.

Molecular Properties

Compound Name2-azido-3-pyrazol-1-ylpyrazine
PubChem CID126484510
Molecular FormulaC7H5N7
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Name2-azido-3-pyrazol-1-ylpyrazine
SMILES[N-]=[N+]=Nc1nccnc1-n1cccn1
InChIInChI=1S/C7H5N7/c8-13-12-6-7(10-4-3-9-6)14-5-1-2-11-14/h1-5H
InChIKeyMBROHXQDBXTOLE-UHFFFAOYSA-N
XLogP1.60
TPSA92.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 51.60
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-3-pyrazol-1-ylpyrazine?
The IUPAC name of 2-azido-3-pyrazol-1-ylpyrazine (CID 126484510) is 2-azido-3-pyrazol-1-ylpyrazine.
What is the SMILES notation for 2-azido-3-pyrazol-1-ylpyrazine?
The canonical SMILES for 2-azido-3-pyrazol-1-ylpyrazine is [N-]=[N+]=Nc1nccnc1-n1cccn1.
What is the InChIKey of 2-azido-3-pyrazol-1-ylpyrazine?
The InChIKey is MBROHXQDBXTOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N7/c8-13-12-6-7(10-4-3-9-6)14-5-1-2-11-14/h1-5H.
What are the key properties of 2-azido-3-pyrazol-1-ylpyrazine?
2-azido-3-pyrazol-1-ylpyrazine has a molecular weight of 187.17 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-pyrazol-1-ylpyrazine is sourced from PubChem (CID 126484510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).