3,4,7,8-tetrahydrodiazocine

C6H10N2 — CID 90964382

IUPAC3,4,7,8-tetrahydrodiazocine
SMILESC1=CCC/N=N\CC1
InChIInChI=1S/C6H10N2/c1-2-4-6-8-7-5-3-1/h1-2H,3-6H2/b2-1?,8-7-
InChIKeyYRYKKROFRZXTAS-YLGMWULLSA-N
MW110.16 g/mol
LogP1.79
Rot. Bonds

About 3,4,7,8-tetrahydrodiazocine

3,4,7,8-tetrahydrodiazocine (PubChem CID 90964382) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3,4,7,8-tetrahydrodiazocine.

Molecular Properties

Compound Name3,4,7,8-tetrahydrodiazocine
PubChem CID90964382
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3,4,7,8-tetrahydrodiazocine
SMILESC1=CCC/N=N\CC1
InChIInChI=1S/C6H10N2/c1-2-4-6-8-7-5-3-1/h1-2H,3-6H2/b2-1?,8-7-
InChIKeyYRYKKROFRZXTAS-YLGMWULLSA-N
XLogP1.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,4,7,8-tetrahydrodiazocine 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 3,4,7,8-tetrahydrodiazocine?
The IUPAC name of 3,4,7,8-tetrahydrodiazocine (CID 90964382) is 3,4,7,8-tetrahydrodiazocine.
What is the SMILES notation for 3,4,7,8-tetrahydrodiazocine?
The canonical SMILES for 3,4,7,8-tetrahydrodiazocine is C1=CCC/N=N\CC1.
What is the InChIKey of 3,4,7,8-tetrahydrodiazocine?
The InChIKey is YRYKKROFRZXTAS-YLGMWULLSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-4-6-8-7-5-3-1/h1-2H,3-6H2/b2-1?,8-7-.
What are the key properties of 3,4,7,8-tetrahydrodiazocine?
3,4,7,8-tetrahydrodiazocine has a molecular weight of 110.16 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7,8-tetrahydrodiazocine is sourced from PubChem (CID 90964382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).