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113967-74-1 | [1,2,4]Triazolo[1,5-a]pyrimidin-7-amine, 2-(methylthio)-
CAS No: 113967-74-1 Catalog No: AG000A7D MDL No:MFCD00067819
Product Description
Catalog Number:
AG000A7D
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidin-7-amine, 2-(methylthio)-
CAS Number:
113967-74-1
Molecular Formula:
C6H7N5S
Molecular Weight:
181.2183
MDL Number:
MFCD00067819
IUPAC Name:
2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
InChI:
InChI=1S/C6H7N5S/c1-12-6-9-5-8-3-2-4(7)11(5)10-6/h2-3H,7H2,1H3
InChI Key:
FGMSPURIYNZJKH-UHFFFAOYSA-N
SMILES:
CSc1nn2c(n1)nccc2N
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.042g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.217g/mol
Monoisotopic Mass:
181.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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