![3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione structure](/static/products/727/7271-89-8.png)
3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
TL;DR: 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione (CAS 7271-89-8) is a chemical compound with molecular formula C12H10N6O2 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
Also Known As: 3-benzylamino-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione, 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione, 3-(benzylamino)-2,4,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione
| Molecular Formula | C12H10N6O2 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 0.0135 |
| Topological Polar Surface Area | 116.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.08652 |
| Heavy Atoms | 20 |
| Complexity | 854.9457 |
Chemical Identifiers
| CAS Number | 7271-89-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC3=C(C(=O)NC(=O)N3)N=N2 |
Product Overview
3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione (CAS 7271-89-8), with molecular formula C12H10N6O2 and molecular weight 270.09 g/mol. IUPAC: 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione.
Chemical Property Profile of 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
Property Insights of 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
The XLogP value of 0.0135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione. The TPSA of 116.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione. Following Lipinski's Rule of Five, 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione has 3 hydrogen bond donor(s) and 6 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 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione?
The CAS number of 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione is 7271-89-8.
What is the molecular formula of 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione?
The molecular formula of 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione is C12H10N6O2.
What is the molecular weight of 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione?
The molecular weight of 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione is 270.09 g/mol.
Where can I buy 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione?
You can request a quote for 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.