5-azido-3-methyl-2-phenylpyrazine

C11H9N5 — CID 13065047

IUPAC5-azido-3-methyl-2-phenylpyrazine
SMILESCc1nc(N=[N+]=[N-])cnc1-c1ccccc1
InChIInChI=1S/C11H9N5/c1-8-11(9-5-3-2-4-6-9)13-7-10(14-8)15-16-12/h2-7H,1H3
InChIKeyNRKWMGJONIMVSW-UHFFFAOYSA-N
MW211.23 g/mol
LogP3.39
Rot. Bonds2

About 5-azido-3-methyl-2-phenylpyrazine

5-azido-3-methyl-2-phenylpyrazine (PubChem CID 13065047) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 5-azido-3-methyl-2-phenylpyrazine.

Molecular Properties

Compound Name5-azido-3-methyl-2-phenylpyrazine
PubChem CID13065047
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name5-azido-3-methyl-2-phenylpyrazine
SMILESCc1nc(N=[N+]=[N-])cnc1-c1ccccc1
InChIInChI=1S/C11H9N5/c1-8-11(9-5-3-2-4-6-9)13-7-10(14-8)15-16-12/h2-7H,1H3
InChIKeyNRKWMGJONIMVSW-UHFFFAOYSA-N
XLogP3.39
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-azido-3-methyl-2-phenylpyrazine?
The IUPAC name of 5-azido-3-methyl-2-phenylpyrazine (CID 13065047) is 5-azido-3-methyl-2-phenylpyrazine.
What is the SMILES notation for 5-azido-3-methyl-2-phenylpyrazine?
The canonical SMILES for 5-azido-3-methyl-2-phenylpyrazine is Cc1nc(N=[N+]=[N-])cnc1-c1ccccc1.
What is the InChIKey of 5-azido-3-methyl-2-phenylpyrazine?
The InChIKey is NRKWMGJONIMVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c1-8-11(9-5-3-2-4-6-9)13-7-10(14-8)15-16-12/h2-7H,1H3.
What are the key properties of 5-azido-3-methyl-2-phenylpyrazine?
5-azido-3-methyl-2-phenylpyrazine has a molecular weight of 211.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-3-methyl-2-phenylpyrazine is sourced from PubChem (CID 13065047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).