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70182-89-7 | [1,2,4]Triazolo[1,5-c]pyrimidin-7-amine, 5-(methylthio)-
CAS No: 70182-89-7 Catalog No: AG005KRN MDL No:
Product Description
Catalog Number:
AG005KRN
Chemical Name:
[1,2,4]Triazolo[1,5-c]pyrimidin-7-amine, 5-(methylthio)-
CAS Number:
70182-89-7
Molecular Formula:
C6H7N5S
Molecular Weight:
181.2183
IUPAC Name:
5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
InChI:
InChI=1S/C6H7N5S/c1-12-6-10-4(7)2-5-8-3-9-11(5)6/h2-3H,7H2,1H3
InChI Key:
LQWFBJQUUPZEDY-UHFFFAOYSA-N
SMILES:
CSc1nc(N)cc2n1ncn2
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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