3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene

C8H8N6 — CID 604635

IUPAC3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
SMILESCc1nnc2ccc3nnc(C)n3n12
InChIInChI=1S/C8H8N6/c1-5-9-11-7-3-4-8-12-10-6(2)14(8)13(5)7/h3-4H,1-2H3
InChIKeyGQGJFRLLZANDGB-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.39
Rot. Bonds

About 3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene

3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene (PubChem CID 604635) has the molecular formula C8H8N6 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene.

Molecular Properties

Compound Name3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
PubChem CID604635
Molecular FormulaC8H8N6
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
SMILESCc1nnc2ccc3nnc(C)n3n12
InChIInChI=1S/C8H8N6/c1-5-9-11-7-3-4-8-12-10-6(2)14(8)13(5)7/h3-4H,1-2H3
InChIKeyGQGJFRLLZANDGB-UHFFFAOYSA-N
XLogP0.39
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene with MolForge

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

Launch Full Analysis

Related Compounds

5,7,11-Trimethyl-1,3,4,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 338184
N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium
CID 59879597
5,7,12-Trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 12581793
3-Chloro-12-methyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 12583727
N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+)
CID 18683331
1,2,3,4,5,10,11-Heptazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaen-12-ylmethanamine
CID 112488908
1,2,3,5,10,12-Hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 119098752

Frequently Asked Questions

What is the IUPAC name of 3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene?
The IUPAC name of 3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene (CID 604635) is 3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene.
What is the SMILES notation for 3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene?
The canonical SMILES for 3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene is Cc1nnc2ccc3nnc(C)n3n12.
What is the InChIKey of 3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene?
The InChIKey is GQGJFRLLZANDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6/c1-5-9-11-7-3-4-8-12-10-6(2)14(8)13(5)7/h3-4H,1-2H3.
What are the key properties of 3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene?
3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene has a molecular weight of 188.19 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,12-dimethyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene is sourced from PubChem (CID 604635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).