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100557-06-0

100557-06-0 | Ethanol, 2-[[5-(diethylamino)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hexylamino]-

CAS No: 100557-06-0 Catalog No: AG0002BX MDL No:

Product Description

Catalog Number:
AG0002BX
Chemical Name:
Ethanol, 2-[[5-(diethylamino)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hexylamino]-
CAS Number:
100557-06-0
Molecular Formula:
C17H30N6O
Molecular Weight:
334.4597
IUPAC Name:
2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-hexylamino]ethanol
InChI:
InChI=1S/C17H30N6O/c1-4-7-8-9-10-22(11-12-24)16-13-15(21(5-2)6-3)20-17-18-14-19-23(16)17/h13-14,24H,4-12H2,1-3H3
InChI Key:
NWCVGIMEZSWINX-UHFFFAOYSA-N
SMILES:
OCCNCCCCCCc1cc(nc2n1ncn2)N(CC)CC

Properties

Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.248g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
334.468g/mol
Monoisotopic Mass:
334.248g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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