![3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one structure](/static/products/7635/76357-48-7.webp)
3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one
TL;DR: 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one (CAS 76357-48-7) is a chemical compound with molecular formula C11H11N5O and molecular weight 229.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one
Also Known As: 3-benzyl-6,7-dihydro-2H-triazolo[4,5-d]pyrimidin-5-one, 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one, 5H-1,2,3-Triazolo[4,5-d]pyrimidin-5-one, 3,4,6,7-tetrahydro-3-(phenylmethyl)-, 5H-1,3-Triazolo[4,5-d]pyrimidin-5-one, 3,4,6,7-tetrahydro-3-(phenylmethyl)-
| Molecular Formula | C11H11N5O |
|---|---|
| Molecular Weight | 229.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.09636 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 76357-48-7 |
|---|---|
| SMILES | C1C2=C(NC(=O)N1)N(N=N2)CC3=CC=CC=C3 |
| InChIKey | AITHAFDLYAKGLF-UHFFFAOYSA-N |
Product Overview
3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one (CAS 76357-48-7), with molecular formula C11H11N5O and molecular weight 229.10 g/mol. IUPAC: 3-benzyl-6,7-dihydro-4H-triazolo[4,5-d]pyrimidin-5-one.
Chemical Property Profile of 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one
Property Insights of 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one. Following Lipinski's Rule of Five, 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one has 2 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 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one?
The CAS number of 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one is 76357-48-7.
What is the molecular formula of 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one?
The molecular formula of 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one is C11H11N5O.
What is the molecular weight of 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one?
The molecular weight of 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one is 229.10 g/mol.
Where can I buy 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one?
You can request a quote for 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2,3,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-d]pyrimidin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.