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86870-00-0 | 1,2,4-Triazolo[4,3-b][1,2,4]triazine,3-butyl-7-phenyl-
CAS No: 86870-00-0 Catalog No: AG004M53 MDL No:
Product Description
Catalog Number:
AG004M53
Chemical Name:
1,2,4-Triazolo[4,3-b][1,2,4]triazine,3-butyl-7-phenyl-
CAS Number:
86870-00-0
Molecular Formula:
C14H15N5
Molecular Weight:
253.3024
IUPAC Name:
3-butyl-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
InChI:
InChI=1S/C14H15N5/c1-2-3-9-13-17-18-14-16-12(10-15-19(13)14)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
InChI Key:
ULAOAUROMPQUOH-UHFFFAOYSA-N
SMILES:
CCCCc1nnc2n1ncc(n2)c1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.133g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.309g/mol
Monoisotopic Mass:
253.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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