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124991-69-1 | 3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-(2-pyrazinyl)-
CAS No: 124991-69-1 Catalog No: AG000MYG MDL No:
Product Description
Catalog Number:
AG000MYG
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-(2-pyrazinyl)-
CAS Number:
124991-69-1
Molecular Formula:
C6H6N6S
Molecular Weight:
194.2170
IUPAC Name:
4-amino-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C6H6N6S/c7-12-5(10-11-6(12)13)4-3-8-1-2-9-4/h1-3H,7H2,(H,11,13)
InChI Key:
WOWJJHXUUVZDBE-UHFFFAOYSA-N
SMILES:
Nn1c(=S)[nH]nc1c1cnccn1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.037g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.216g/mol
Monoisotopic Mass:
194.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Synthesis and antifungal and antioxidant properties of some new 5-substituted-4-amino(or aryl)-3-mercapto-4(H)-1,2,4-triazoles. | Arzneimittel-Forschung 20020101 |
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