2-(4-azidobut-1-enyl)pyrazine

C8H9N5 — CID 150773424

IUPAC2-(4-azidobut-1-enyl)pyrazine
SMILES[N-]=[N+]=NCCC=Cc1cnccn1
InChIInChI=1S/C8H9N5/c9-13-12-4-2-1-3-8-7-10-5-6-11-8/h1,3,5-7H,2,4H2
InChIKeyKAIPSDBMLOKEOU-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.19
Rot. Bonds4

About 2-(4-azidobut-1-enyl)pyrazine

2-(4-azidobut-1-enyl)pyrazine (PubChem CID 150773424) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(4-azidobut-1-enyl)pyrazine.

Molecular Properties

Compound Name2-(4-azidobut-1-enyl)pyrazine
PubChem CID150773424
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name2-(4-azidobut-1-enyl)pyrazine
SMILES[N-]=[N+]=NCCC=Cc1cnccn1
InChIInChI=1S/C8H9N5/c9-13-12-4-2-1-3-8-7-10-5-6-11-8/h1,3,5-7H,2,4H2
InChIKeyKAIPSDBMLOKEOU-UHFFFAOYSA-N
XLogP2.19
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(4-azidobut-1-enyl)pyrazine?
The IUPAC name of 2-(4-azidobut-1-enyl)pyrazine (CID 150773424) is 2-(4-azidobut-1-enyl)pyrazine.
What is the SMILES notation for 2-(4-azidobut-1-enyl)pyrazine?
The canonical SMILES for 2-(4-azidobut-1-enyl)pyrazine is [N-]=[N+]=NCCC=Cc1cnccn1.
What is the InChIKey of 2-(4-azidobut-1-enyl)pyrazine?
The InChIKey is KAIPSDBMLOKEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-13-12-4-2-1-3-8-7-10-5-6-11-8/h1,3,5-7H,2,4H2.
What are the key properties of 2-(4-azidobut-1-enyl)pyrazine?
2-(4-azidobut-1-enyl)pyrazine has a molecular weight of 175.19 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azidobut-1-enyl)pyrazine is sourced from PubChem (CID 150773424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).