RefChem:449808
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]acetic acid
Also Known As: 2-{[bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}acetic acid|(5,7-Bis-ethylamino-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-ylsulfanyl)-acetic acid|SR-01000040094-1|2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]acetic acid|2-[[5,7-Bis(ethylamino)-1,2,4-triazolo[4,3-a][1,3,5]triazin-3-yl]thio]acetic acid|{[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}acetic acid|{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}acetic acid|2-((5,7-Bis(ethylamino)-1,2,4-triazolo(4,3-a)(1,3,5)triazin-3-yl)thio)acetic acid|2-((Bis(ethylamino)-(1,2,4)triazolo(4,3-a)(1,3,5)triazin-3-yl)sulfanyl)acetic acid|2-[5,7-bis(ethylamino)-1,2,4-triazolo[4,5-a]1,3,5-triazin-3-ylthio]acetic acid|2-{[bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}aceticacid|2-((5,7-BIS(ETHYLAMINO)-[1,2,4]TRIAZOLO[4,3-A][1,3,5]TRIAZIN-3-YL)THIO)ACETIC ACID|845-798-9
| Molecular Formula | C10H15N7O2S |
|---|---|
| Molecular Weight | 297.1008 g/mol |
| LogP | 0.5596 |
| Topological Polar Surface Area | 117.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 297.1008 |
| Monoisotopic Mass | 297.1008 |
| Heavy Atoms | 20 |
| Complexity | 614.91705 |
Chemical Identifiers
| CAS Number | 565166-68-9 |
|---|---|
| SMILES | CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)O |
Product Overview
RefChem:449808 (CAS 565166-68-9), with molecular formula C10H15N7O2S and molecular weight 297.1008 g/mol. IUPAC: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]acetic acid.
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