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1273577-56-2 | Pyrazolo[1,5-a]-1,3,5-triazine-8-carbonitrile, 4-amino-2-(methylthio)-
CAS No: 1273577-56-2 Catalog No: AG000WYA MDL No:
Product Description
Catalog Number:
AG000WYA
Chemical Name:
Pyrazolo[1,5-a]-1,3,5-triazine-8-carbonitrile, 4-amino-2-(methylthio)-
CAS Number:
1273577-56-2
Molecular Formula:
C7H6N6S
Molecular Weight:
206.2277
IUPAC Name:
4-amino-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
InChI:
InChI=1S/C7H6N6S/c1-14-7-11-5-4(2-8)3-10-13(5)6(9)12-7/h3H,1H3,(H2,9,11,12)
InChI Key:
USZIVKLRSRWENE-UHFFFAOYSA-N
SMILES:
CSc1nc(N)n2c(n1)c(C#N)cn2
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:
0.3
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