![5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene structure](/static/products/6877/68774-95-8.webp)
5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
TL;DR: 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene (CAS 68774-95-8) is a chemical compound with molecular formula C8H7N5 and molecular weight 173.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
Also Known As: 3-methyl-imidazo[1,2-a][1,2,4]triazolo[3,4-c]pyrazine, 3-Methylimidazo[1,2-a][1,2,4]triazolo[3,4-c]pyrazine, 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
| Molecular Formula | C8H7N5 |
|---|---|
| Molecular Weight | 173.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.07014 |
| Heavy Atoms | 13 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 68774-95-8 |
|---|---|
| SMILES | CC1=NN=C2N1C=CN3C2=NC=C3 |
| InChIKey | BYCHAODWPICTRL-UHFFFAOYSA-N |
Product Overview
5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene (CAS 68774-95-8), with molecular formula C8H7N5 and molecular weight 173.07 g/mol. IUPAC: 5-methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene.
Chemical Property Profile of 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
Property Insights of 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene. With a topological polar surface area (TPSA) of 48.5 Ų, 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene?
The CAS number of 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene is 68774-95-8.
What is the molecular formula of 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene?
The molecular formula of 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene is C8H7N5.
What is the molecular weight of 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene?
The molecular weight of 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene is 173.07 g/mol.
Where can I buy 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene?
You can request a quote for 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3,4,6,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.