2-(2-azidoethyl)-6-methylpyrazine

C7H9N5 — CID 122163839

IUPAC2-(2-azidoethyl)-6-methylpyrazine
SMILESCc1cncc(CCN=[N+]=[N-])n1
InChIInChI=1S/C7H9N5/c1-6-4-9-5-7(11-6)2-3-10-12-8/h4-5H,2-3H2,1H3
InChIKeyGJYALOSZXGUPLA-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.64
Rot. Bonds3

About 2-(2-azidoethyl)-6-methylpyrazine

2-(2-azidoethyl)-6-methylpyrazine (PubChem CID 122163839) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-(2-azidoethyl)-6-methylpyrazine.

Molecular Properties

Compound Name2-(2-azidoethyl)-6-methylpyrazine
PubChem CID122163839
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name2-(2-azidoethyl)-6-methylpyrazine
SMILESCc1cncc(CCN=[N+]=[N-])n1
InChIInChI=1S/C7H9N5/c1-6-4-9-5-7(11-6)2-3-10-12-8/h4-5H,2-3H2,1H3
InChIKeyGJYALOSZXGUPLA-UHFFFAOYSA-N
XLogP1.64
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.64
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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Related Compounds

2-(3,3-dimethylbutyl)-6-methylpyrazine
CID 142360846
2-methyl-6-(3-methylbutyl)pyrazine
CID 572730
N,N-dimethyl-1-(6-methylpyrazin-2-yl)methanamine
CID 138710380
2,6-dimethylpyrazine;ethane
CID 54569544
2-(6-methylpyrazin-2-yl)acetic acid
CID 82594952
[4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol
CID 91183133
5-(2-azidoethyl)-4-methyl-1,3-thiazole
CID 54670922
2-methyl-6-(pyrazin-2-ylmethyl)pyrazine;propane
CID 90874037
3-(2-azidoethyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 165151786
5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine
CID 130505380
2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane
CID 145378977
2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole
CID 106924308

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethyl)-6-methylpyrazine?
The IUPAC name of 2-(2-azidoethyl)-6-methylpyrazine (CID 122163839) is 2-(2-azidoethyl)-6-methylpyrazine.
What is the SMILES notation for 2-(2-azidoethyl)-6-methylpyrazine?
The canonical SMILES for 2-(2-azidoethyl)-6-methylpyrazine is Cc1cncc(CCN=[N+]=[N-])n1.
What is the InChIKey of 2-(2-azidoethyl)-6-methylpyrazine?
The InChIKey is GJYALOSZXGUPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-6-4-9-5-7(11-6)2-3-10-12-8/h4-5H,2-3H2,1H3.
What are the key properties of 2-(2-azidoethyl)-6-methylpyrazine?
2-(2-azidoethyl)-6-methylpyrazine has a molecular weight of 163.18 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethyl)-6-methylpyrazine is sourced from PubChem (CID 122163839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).