3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene

C8H6N4 — CID 45088536

IUPAC3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene
SMILESc1cn2cnc3cc[nH]c3c2n1
InChIInChI=1S/C8H6N4/c1-2-9-7-6(1)11-5-12-4-3-10-8(7)12/h1-5,9H
InChIKeyWKUZWNQPTNIAAB-UHFFFAOYSA-N
MW158.16 g/mol
LogP1.21
Rot. Bonds

About 3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene

3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene (PubChem CID 45088536) has the molecular formula C8H6N4 and a molecular weight of 158.16 g/mol. Its IUPAC name is 3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene.

Molecular Properties

Compound Name3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene
PubChem CID45088536
Molecular FormulaC8H6N4
Molecular Weight158.16 g/mol
Exact Mass158.06
IUPAC Name3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene
SMILESc1cn2cnc3cc[nH]c3c2n1
InChIInChI=1S/C8H6N4/c1-2-9-7-6(1)11-5-12-4-3-10-8(7)12/h1-5,9H
InChIKeyWKUZWNQPTNIAAB-UHFFFAOYSA-N
XLogP1.21
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene 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 3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene?
The IUPAC name of 3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene (CID 45088536) is 3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene.
What is the SMILES notation for 3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene?
The canonical SMILES for 3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene is c1cn2cnc3cc[nH]c3c2n1.
What is the InChIKey of 3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene?
The InChIKey is WKUZWNQPTNIAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4/c1-2-9-7-6(1)11-5-12-4-3-10-8(7)12/h1-5,9H.
What are the key properties of 3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene?
3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene has a molecular weight of 158.16 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene is sourced from PubChem (CID 45088536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).