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139179-54-7 | [1,2,4]Triazolo[1,5-a][1,3,5]triazin-7-amine, 2-(2-furanyl)-5-(phenylthio)-
CAS No: 139179-54-7 Catalog No: AG001AFW MDL No:
Product Description
Catalog Number:
AG001AFW
Chemical Name:
[1,2,4]Triazolo[1,5-a][1,3,5]triazin-7-amine, 2-(2-furanyl)-5-(phenylthio)-
CAS Number:
139179-54-7
Molecular Formula:
C14H10N6OS
Molecular Weight:
310.3338
IUPAC Name:
2-(furan-2-yl)-5-phenylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
InChI:
InChI=1S/C14H10N6OS/c15-12-17-14(22-9-5-2-1-3-6-9)18-13-16-11(19-20(12)13)10-7-4-8-21-10/h1-8H,(H2,15,16,17,18,19)
InChI Key:
XXEJWGLKJJWUQI-UHFFFAOYSA-N
SMILES:
Nc1nc(Sc2ccccc2)nc2n1nc(n2)c1ccco1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.335g/mol
Monoisotopic Mass:
310.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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