6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane

C5H11N3 — CID 14966375

IUPAC6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane
SMILESCCC1N2CNCN12
InChIInChI=1S/C5H11N3/c1-2-5-7-3-6-4-8(5)7/h5-6H,2-4H2,1H3
InChIKeyKBWHVYOKDAWYSS-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.23
Rot. Bonds1

About 6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane

6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane (PubChem CID 14966375) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane
PubChem CID14966375
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane
SMILESCCC1N2CNCN12
InChIInChI=1S/C5H11N3/c1-2-5-7-3-6-4-8(5)7/h5-6H,2-4H2,1H3
InChIKeyKBWHVYOKDAWYSS-UHFFFAOYSA-N
XLogP-0.23
TPSA18.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane?
The IUPAC name of 6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane (CID 14966375) is 6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane?
The canonical SMILES for 6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane is CCC1N2CNCN12.
What is the InChIKey of 6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane?
The InChIKey is KBWHVYOKDAWYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-2-5-7-3-6-4-8(5)7/h5-6H,2-4H2,1H3.
What are the key properties of 6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane?
6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane has a molecular weight of 113.16 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3,5-triazabicyclo[3.1.0]hexane is sourced from PubChem (CID 14966375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).