aziridin-1-ylcyanamide

C3H5N3 — CID 90918313

IUPACaziridin-1-ylcyanamide
SMILESN#CNN1CC1
InChIInChI=1S/C3H5N3/c4-3-5-6-1-2-6/h5H,1-2H2
InChIKeyNZCQSYYPCAHYIE-UHFFFAOYSA-N
MW83.09 g/mol
LogP-0.71
Rot. Bonds1

About aziridin-1-ylcyanamide

aziridin-1-ylcyanamide (PubChem CID 90918313) has the molecular formula C3H5N3 and a molecular weight of 83.09 g/mol. Its IUPAC name is aziridin-1-ylcyanamide.

Molecular Properties

Compound Nameaziridin-1-ylcyanamide
PubChem CID90918313
Molecular FormulaC3H5N3
Molecular Weight83.09 g/mol
Exact Mass83.05
IUPAC Nameaziridin-1-ylcyanamide
SMILESN#CNN1CC1
InChIInChI=1S/C3H5N3/c4-3-5-6-1-2-6/h5H,1-2H2
InChIKeyNZCQSYYPCAHYIE-UHFFFAOYSA-N
XLogP-0.71
TPSA38.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aziridin-1-ylcyanamide?
The IUPAC name of aziridin-1-ylcyanamide (CID 90918313) is aziridin-1-ylcyanamide.
What is the SMILES notation for aziridin-1-ylcyanamide?
The canonical SMILES for aziridin-1-ylcyanamide is N#CNN1CC1.
What is the InChIKey of aziridin-1-ylcyanamide?
The InChIKey is NZCQSYYPCAHYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3/c4-3-5-6-1-2-6/h5H,1-2H2.
What are the key properties of aziridin-1-ylcyanamide?
aziridin-1-ylcyanamide has a molecular weight of 83.09 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-ylcyanamide is sourced from PubChem (CID 90918313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).