Home Other Building Blocks 4-METHYL-5-[(3-PYRAZIN-2-YL-1,2,4-OXADIAZOL-5-YL)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL

4-METHYL-5-[(3-PYRAZIN-2-YL-1,2,4-OXADIAZOL-5-YL)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL

CAS No.:
519056-47-4
Catalog Number:
AG00D9M6
Molecular Formula:
C10H9N7OS
Molecular Weight:
275.2898
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Product Description
Catalog Number:
AG00D9M6
Chemical Name:
4-METHYL-5-[(3-PYRAZIN-2-YL-1,2,4-OXADIAZOL-5-YL)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
CAS Number:
519056-47-4
Molecular Formula:
C10H9N7OS
Molecular Weight:
275.2898
MDL Number:
MFCD00219823
IUPAC Name:
4-methyl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H9N7OS/c1-17-7(14-15-10(17)19)4-8-13-9(16-18-8)6-5-11-2-3-12-6/h2-3,5H,4H2,1H3,(H,15,19)
InChI Key:
FLBYNUINSCARIO-UHFFFAOYSA-N
SMILES:
Cn1c(nnc1S)Cc1onc(n1)c1cnccn1
Properties
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.059g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.29g/mol
Monoisotopic Mass:
275.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties