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101071-71-0 | Ethanol, 2-[(5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexylamino]-
CAS No: 101071-71-0 Catalog No: AG0003N6 MDL No:
Product Description
Catalog Number:
AG0003N6
Chemical Name:
Ethanol, 2-[(5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexylamino]-
CAS Number:
101071-71-0
Molecular Formula:
C13H20ClN5O
Molecular Weight:
297.7838
IUPAC Name:
2-[6-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexylamino]ethanol
InChI:
InChI=1S/C13H20ClN5O/c14-12-9-11(19-13(18-12)16-10-17-19)5-3-1-2-4-6-15-7-8-20/h9-10,15,20H,1-8H2
InChI Key:
PFGGDBMKCTVPDY-UHFFFAOYSA-N
SMILES:
OCCNCCCCCCc1cc(Cl)nc2n1ncn2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.787g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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