![2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one structure](/static/products/825/825655-71-8.png)
2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
TL;DR: 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one (CAS 825655-71-8) is a chemical compound with molecular formula C13H13N5OS and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(thiophen-2-ylmethylamino)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
Also Known As: 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one, 2-((thiophen-2-ylmethyl)amino)-6,7-dihydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8(5H)-one, 2-[(2-thienylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one, 2-[(thiophen-2-ylmethyl)amino]-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
| Molecular Formula | C13H13N5OS |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 1.5799 |
| Topological Polar Surface Area | 75.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.08408 |
| Heavy Atoms | 20 |
| Complexity | 817.26447 |
Chemical Identifiers
| CAS Number | 825655-71-8 |
|---|---|
| SMILES | C1CC2=C(C1)N=C3N=C(NN3C2=O)NCC4=CC=CS4 |
Product Overview
2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one (CAS 825655-71-8), with molecular formula C13H13N5OS and molecular weight 287.08 g/mol. IUPAC: 11-(thiophen-2-ylmethylamino)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.
Chemical Property Profile of 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Property Insights of 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
The XLogP value of 1.5799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one. The TPSA of 75.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one. Following Lipinski's Rule of Five, 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one has 2 hydrogen bond donor(s) and 5 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 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one?
The CAS number of 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one is 825655-71-8.
What is the molecular formula of 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one?
The molecular formula of 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one is C13H13N5OS.
What is the molecular weight of 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one?
The molecular weight of 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one is 287.08 g/mol.
Where can I buy 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one?
You can request a quote for 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.