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

C4H9N3 — CID 14966374

IUPAC6-methyl-1,3,5-triazabicyclo[3.1.0]hexane
SMILESCC1N2CNCN12
InChIInChI=1S/C4H9N3/c1-4-6-2-5-3-7(4)6/h4-5H,2-3H2,1H3
InChIKeyCAYONRAFBUYLPQ-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.62
Rot. Bonds

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

6-methyl-1,3,5-triazabicyclo[3.1.0]hexane (PubChem CID 14966374) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 6-methyl-1,3,5-triazabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-methyl-1,3,5-triazabicyclo[3.1.0]hexane
PubChem CID14966374
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name6-methyl-1,3,5-triazabicyclo[3.1.0]hexane
SMILESCC1N2CNCN12
InChIInChI=1S/C4H9N3/c1-4-6-2-5-3-7(4)6/h4-5H,2-3H2,1H3
InChIKeyCAYONRAFBUYLPQ-UHFFFAOYSA-N
XLogP-0.62
TPSA18.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methyl-1,3,5-triazabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3,5-triazabicyclo[3.1.0]hexane?
The IUPAC name of 6-methyl-1,3,5-triazabicyclo[3.1.0]hexane (CID 14966374) is 6-methyl-1,3,5-triazabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-methyl-1,3,5-triazabicyclo[3.1.0]hexane?
The canonical SMILES for 6-methyl-1,3,5-triazabicyclo[3.1.0]hexane is CC1N2CNCN12.
What is the InChIKey of 6-methyl-1,3,5-triazabicyclo[3.1.0]hexane?
The InChIKey is CAYONRAFBUYLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-4-6-2-5-3-7(4)6/h4-5H,2-3H2,1H3.
What are the key properties of 6-methyl-1,3,5-triazabicyclo[3.1.0]hexane?
6-methyl-1,3,5-triazabicyclo[3.1.0]hexane has a molecular weight of 99.14 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3,5-triazabicyclo[3.1.0]hexane is sourced from PubChem (CID 14966374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).