5-(2-azidoethyl)-1-methylimidazole

C6H9N5 — CID 151132654

IUPAC5-(2-azidoethyl)-1-methylimidazole
SMILESCn1cncc1CCN=[N+]=[N-]
InChIInChI=1S/C6H9N5/c1-11-5-8-4-6(11)2-3-9-10-7/h4-5H,2-3H2,1H3
InChIKeyMUNXIBUVZGSGMO-UHFFFAOYSA-N
MW151.17 g/mol
LogP1.27
Rot. Bonds3

About 5-(2-azidoethyl)-1-methylimidazole

5-(2-azidoethyl)-1-methylimidazole (PubChem CID 151132654) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-(2-azidoethyl)-1-methylimidazole.

Molecular Properties

Compound Name5-(2-azidoethyl)-1-methylimidazole
PubChem CID151132654
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name5-(2-azidoethyl)-1-methylimidazole
SMILESCn1cncc1CCN=[N+]=[N-]
InChIInChI=1S/C6H9N5/c1-11-5-8-4-6(11)2-3-9-10-7/h4-5H,2-3H2,1H3
InChIKeyMUNXIBUVZGSGMO-UHFFFAOYSA-N
XLogP1.27
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 51.27
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-(2-azidoethyl)-1-methylimidazole?
The IUPAC name of 5-(2-azidoethyl)-1-methylimidazole (CID 151132654) is 5-(2-azidoethyl)-1-methylimidazole.
What is the SMILES notation for 5-(2-azidoethyl)-1-methylimidazole?
The canonical SMILES for 5-(2-azidoethyl)-1-methylimidazole is Cn1cncc1CCN=[N+]=[N-].
What is the InChIKey of 5-(2-azidoethyl)-1-methylimidazole?
The InChIKey is MUNXIBUVZGSGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-11-5-8-4-6(11)2-3-9-10-7/h4-5H,2-3H2,1H3.
What are the key properties of 5-(2-azidoethyl)-1-methylimidazole?
5-(2-azidoethyl)-1-methylimidazole has a molecular weight of 151.17 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azidoethyl)-1-methylimidazole is sourced from PubChem (CID 151132654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).