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144582-85-4 | Propanedinitrile, 2-[6-(4-morpholinyl)-1,2,4,5-tetrazin-3-yl]-2-(4-pentyn-1-yl)-
CAS No: 144582-85-4 Catalog No: AG001JRX MDL No:
Product Description
Catalog Number:
AG001JRX
Chemical Name:
Propanedinitrile, 2-[6-(4-morpholinyl)-1,2,4,5-tetrazin-3-yl]-2-(4-pentyn-1-yl)-
CAS Number:
144582-85-4
Molecular Formula:
C14H15N7O
Molecular Weight:
297.3152
IUPAC Name:
2-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)-2-pent-4-ynylpropanedinitrile
InChI:
InChI=1S/C14H15N7O/c1-2-3-4-5-14(10-15,11-16)12-17-19-13(20-18-12)21-6-8-22-9-7-21/h1H,3-9H2
InChI Key:
UUPWOUAIZKVGDS-UHFFFAOYSA-N
SMILES:
N#CC(c1nnc(nn1)N1CCOCC1)(C#N)CCCC#C
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.322g/mol
Monoisotopic Mass:
297.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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