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113967-64-9 | [1,2,4]Triazolo[1,5-a]pyrimidine-6-carbonitrile, 7-amino-2-(methylthio)-
CAS No: 113967-64-9 Catalog No: AG000A7F MDL No:MFCD00067815
Product Description
Catalog Number:
AG000A7F
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidine-6-carbonitrile, 7-amino-2-(methylthio)-
CAS Number:
113967-64-9
Molecular Formula:
C7H6N6S
Molecular Weight:
206.2277
MDL Number:
MFCD00067815
IUPAC Name:
7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
InChI:
InChI=1S/C7H6N6S/c1-14-7-11-6-10-3-4(2-8)5(9)13(6)12-7/h3H,9H2,1H3
InChI Key:
JXSRRBVHLUJJFC-UHFFFAOYSA-N
SMILES:
CSc1nn2c(n1)ncc(c2N)C#N
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.037g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.227g/mol
Monoisotopic Mass:
206.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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