1-Azido-3-methylimidazolidine

C₄H₉N₅ — CID 151429663

About 1-Azido-3-methylimidazolidine

1-Azido-3-methylimidazolidine (PubChem CID 151429663) has the molecular formula C₄H₉N₅ and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-azido-3-methylimidazolidine.

Molecular Properties

• Compound Name: 1-Azido-3-methylimidazolidine
• PubChem CID: 151429663
• Molecular Formula: C₄H₉N₅
• Molecular Weight: 127.15 g/mol
• Exact Mass: 127.09
• IUPAC Name: 1-azido-3-methylimidazolidine
• SMILES: CN1CCN(N=[N+]=[N-])C1
• InChI: InChI=1S/C4H9N5/c1-8-2-3-9(4-8)7-6-5/h2-4H2,1H3
• InChIKey: PCGLMXMHTUTWQB-UHFFFAOYSA-N
• XLogP: 0.42
• TPSA: 55.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	127.15
LogP ≤ 5	0.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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'}

Frequently Asked Questions

What is the IUPAC name of 1-Azido-3-methylimidazolidine?

The IUPAC name of 1-Azido-3-methylimidazolidine (CID 151429663) is 1-azido-3-methylimidazolidine.

What is the SMILES notation for 1-Azido-3-methylimidazolidine?

The canonical SMILES for 1-Azido-3-methylimidazolidine is CN1CCN(N=[N+]=[N-])C1.

What is the InChIKey of 1-Azido-3-methylimidazolidine?

The InChIKey is PCGLMXMHTUTWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c1-8-2-3-9(4-8)7-6-5/h2-4H2,1H3.

What are the key properties of 1-Azido-3-methylimidazolidine?

1-Azido-3-methylimidazolidine has a molecular weight of 127.15 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-Azido-3-methylimidazolidine is sourced from PubChem (CID 151429663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151429663 — identifiers, structure, computed properties (public domain)

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