9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene

C8H6N2 — CID 142382108

IUPAC9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene
SMILESc1ccc2c3[nH]c([nH]3)c2c1
InChIInChI=1S/C8H6N2/c1-2-4-6-5(3-1)7-9-8(6)10-7/h1-4,9-10H
InChIKeyWIRVPNYSUOLCEG-UHFFFAOYSA-N
MW130.15 g/mol
LogP2.09
Rot. Bonds

About 9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene

9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene (PubChem CID 142382108) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene.

Molecular Properties

Compound Name9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene
PubChem CID142382108
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Name9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene
SMILESc1ccc2c3[nH]c([nH]3)c2c1
InChIInChI=1S/C8H6N2/c1-2-4-6-5(3-1)7-9-8(6)10-7/h1-4,9-10H
InChIKeyWIRVPNYSUOLCEG-UHFFFAOYSA-N
XLogP2.09
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-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 9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene?
The IUPAC name of 9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene (CID 142382108) is 9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene.
What is the SMILES notation for 9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene?
The canonical SMILES for 9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene is c1ccc2c3[nH]c([nH]3)c2c1.
What is the InChIKey of 9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene?
The InChIKey is WIRVPNYSUOLCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-2-4-6-5(3-1)7-9-8(6)10-7/h1-4,9-10H.
What are the key properties of 9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene?
9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene has a molecular weight of 130.15 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diazatricyclo[6.1.1.02,7]deca-1,3,5,7-tetraene is sourced from PubChem (CID 142382108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).