aziridine azide

C2H5N4- — CID 161154426

IUPACaziridine azide
SMILESC1CN1.[N-]=[N+]=[N-]
InChIInChI=1S/C2H5N.N3/c1-2-3-1;1-3-2/h3H,1-2H2;/q;-1
InChIKeyUPCJZCOHTNYZTB-UHFFFAOYSA-N
MW85.09 g/mol
LogP0.46
Rot. Bonds

About aziridine azide

aziridine azide (PubChem CID 161154426) has the molecular formula C2H5N4- and a molecular weight of 85.09 g/mol. Its IUPAC name is aziridine azide.

Molecular Properties

Compound Nameaziridine azide
PubChem CID161154426
Molecular FormulaC2H5N4-
Molecular Weight85.09 g/mol
Exact Mass85.05
IUPAC Nameaziridine azide
SMILESC1CN1.[N-]=[N+]=[N-]
InChIInChI=1S/C2H5N.N3/c1-2-3-1;1-3-2/h3H,1-2H2;/q;-1
InChIKeyUPCJZCOHTNYZTB-UHFFFAOYSA-N
XLogP0.46
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.09
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,4,7,10,13,16,19,22-octazacyclotetracosane
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aziridine;polane
CID 173008983
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CID 75530446
copper 1,4,7,10-tetrazacyclododecane
CID 46241917
azane;1,4,7-triazonane
CID 90266240
CID 67656711
CID 67656711
1,4,7,10,13,16-hexazacyclooctadecane;hexahydrate
CID 175372401
CID 87408128
CID 87408128
piperazine;tellane
CID 174387727
cerium;piperazine
CID 175976631
gadolinium(3+);1,4,7,10-tetrazacyclododecane
CID 157413329
ruthenium(3+) triazide
CID 11424680

Frequently Asked Questions

What is the IUPAC name of aziridine azide?
The IUPAC name of aziridine azide (CID 161154426) is aziridine azide.
What is the SMILES notation for aziridine azide?
The canonical SMILES for aziridine azide is C1CN1.[N-]=[N+]=[N-].
What is the InChIKey of aziridine azide?
The InChIKey is UPCJZCOHTNYZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N.N3/c1-2-3-1;1-3-2/h3H,1-2H2;/q;-1.
What are the key properties of aziridine azide?
aziridine azide has a molecular weight of 85.09 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aziridine azide is sourced from PubChem (CID 161154426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).