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86869-98-9 | 1,2,4-Triazolo[4,3-b][1,2,4]triazine,3-cyclopentyl-7-phenyl-
CAS No: 86869-98-9 Catalog No: AG004PHA MDL No:
Product Description
Catalog Number:
AG004PHA
Chemical Name:
1,2,4-Triazolo[4,3-b][1,2,4]triazine,3-cyclopentyl-7-phenyl-
CAS Number:
86869-98-9
Molecular Formula:
C15H15N5
Molecular Weight:
265.3131
IUPAC Name:
3-cyclopentyl-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
InChI:
InChI=1S/C15H15N5/c1-2-6-11(7-3-1)13-10-16-20-14(12-8-4-5-9-12)18-19-15(20)17-13/h1-3,6-7,10,12H,4-5,8-9H2
InChI Key:
DSLXNVNELKWDPQ-UHFFFAOYSA-N
SMILES:
C1CCC(C1)c1nnc2n1ncc(n2)c1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.32g/mol
Monoisotopic Mass:
265.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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