1-azido-3-methylimidazolidine

C4H9N5 — CID 151429663

IUPAC1-azido-3-methylimidazolidine
SMILESCN1CCN(N=[N+]=[N-])C1
InChIInChI=1S/C4H9N5/c1-8-2-3-9(4-8)7-6-5/h2-4H2,1H3
InChIKeyPCGLMXMHTUTWQB-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.42
Rot. Bonds1

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 Name1-azido-3-methylimidazolidine
PubChem CID151429663
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name1-azido-3-methylimidazolidine
SMILESCN1CCN(N=[N+]=[N-])C1
InChIInChI=1S/C4H9N5/c1-8-2-3-9(4-8)7-6-5/h2-4H2,1H3
InChIKeyPCGLMXMHTUTWQB-UHFFFAOYSA-N
XLogP0.42
TPSA55.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 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).