1,5-diazacycloocta-3,4,7,8-tetraene

C6H6N2 — CID 100933009

IUPAC1,5-diazacycloocta-3,4,7,8-tetraene
SMILESC1=CCN=C=CCN=1
InChIInChI=1S/C6H6N2/c1-3-7-5-2-6-8-4-1/h1-2H,3,6H2
InChIKeyAQASPEJFLMXDQB-UHFFFAOYSA-N
MW106.13 g/mol
LogP0.45
Rot. Bonds

About 1,5-diazacycloocta-3,4,7,8-tetraene

1,5-diazacycloocta-3,4,7,8-tetraene (PubChem CID 100933009) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 1,5-diazacycloocta-3,4,7,8-tetraene.

Molecular Properties

Compound Name1,5-diazacycloocta-3,4,7,8-tetraene
PubChem CID100933009
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name1,5-diazacycloocta-3,4,7,8-tetraene
SMILESC1=CCN=C=CCN=1
InChIInChI=1S/C6H6N2/c1-3-7-5-2-6-8-4-1/h1-2H,3,6H2
InChIKeyAQASPEJFLMXDQB-UHFFFAOYSA-N
XLogP0.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,5-diazacycloocta-3,4,7,8-tetraene 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 1,5-diazacycloocta-3,4,7,8-tetraene?
The IUPAC name of 1,5-diazacycloocta-3,4,7,8-tetraene (CID 100933009) is 1,5-diazacycloocta-3,4,7,8-tetraene.
What is the SMILES notation for 1,5-diazacycloocta-3,4,7,8-tetraene?
The canonical SMILES for 1,5-diazacycloocta-3,4,7,8-tetraene is C1=CCN=C=CCN=1.
What is the InChIKey of 1,5-diazacycloocta-3,4,7,8-tetraene?
The InChIKey is AQASPEJFLMXDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c1-3-7-5-2-6-8-4-1/h1-2H,3,6H2.
What are the key properties of 1,5-diazacycloocta-3,4,7,8-tetraene?
1,5-diazacycloocta-3,4,7,8-tetraene has a molecular weight of 106.13 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diazacycloocta-3,4,7,8-tetraene is sourced from PubChem (CID 100933009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).